5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one

C145H209BrCl9N45O11 — CID 158865045

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCCC(Nc2cnn(C)c(=O)c2Br)C1.CN1CCCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1[C@@H]2CC[C@H]1CC(Nc1cnn(C)c(=O)c1Cl)C2.Cc1c(NC2CCCCN(C)C2)cnn(C)c1=O.Cn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O.Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O.Cn1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O.Cn1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
InChIInChI=1S/2C17H21ClN4O.C15H18ClN5O.C13H19ClN4O.C13H22N4O.C12H19BrN4O.C12H17ClN4O.2C12H19ClN4O.2C11H17ClN4O/c2*1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13;1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13;1-17-9-3-4-10(17)6-8(5-9)16-11-7-15-18(2)13(19)12(11)14;1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-16-12(18)11(13)9(6-14-16)15-10-7-17-4-2-8(10)3-5-17;1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12;1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3;2-3,6-7,9,11,19H,4-5,8,10H2,1H3;7-10,16H,3-6H2,1-2H3;8,11,15H,4-7,9H2,1-3H3;7,9,15H,3-6,8H2,1-2H3;6,8,10,15H,2-5,7H2,1H3;8-9,15H,3-7H2,1-2H3;7,9,15H,3-6,8H2,1-2H3;7-8,14H,3-6H2,1-2H3;6,8,14H,3-5,7H2,1-2H3/t2*14-;;8?,9-,10+;;;;;;;/m10........./s1
InChIKeyJBCUYCMJYYTMBU-KTRLULDOSA-N
MW3157.55 g/mol
LogP16.30
Rot. Bonds27

About 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one

5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one (PubChem CID 158865045) has the molecular formula C145H209BrCl9N45O11 and a molecular weight of 3157.55 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
PubChem CID158865045
Molecular FormulaC145H209BrCl9N45O11
Molecular Weight3157.55 g/mol
Exact Mass3150.36
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCCC(Nc2cnn(C)c(=O)c2Br)C1.CN1CCCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1[C@@H]2CC[C@H]1CC(Nc1cnn(C)c(=O)c1Cl)C2.Cc1c(NC2CCCCN(C)C2)cnn(C)c1=O.Cn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O.Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O.Cn1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O.Cn1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
InChIInChI=1S/2C17H21ClN4O.C15H18ClN5O.C13H19ClN4O.C13H22N4O.C12H19BrN4O.C12H17ClN4O.2C12H19ClN4O.2C11H17ClN4O/c2*1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13;1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13;1-17-9-3-4-10(17)6-8(5-9)16-11-7-15-18(2)13(19)12(11)14;1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-16-12(18)11(13)9(6-14-16)15-10-7-17-4-2-8(10)3-5-17;1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12;1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3;2-3,6-7,9,11,19H,4-5,8,10H2,1H3;7-10,16H,3-6H2,1-2H3;8,11,15H,4-7,9H2,1-3H3;7,9,15H,3-6,8H2,1-2H3;6,8,10,15H,2-5,7H2,1H3;8-9,15H,3-7H2,1-2H3;7,9,15H,3-6,8H2,1-2H3;7-8,14H,3-6H2,1-2H3;6,8,14H,3-5,7H2,1-2H3/t2*14-;;8?,9-,10+;;;;;;;/m10........./s1
InChIKeyJBCUYCMJYYTMBU-KTRLULDOSA-N
XLogP16.30
TPSA564.65 Ų
H-Bond Donors11
H-Bond Acceptors56
Rotatable Bonds27
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003157.55
LogP ≤ 516.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1056

Analyze 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
CID 121472649
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-bromo-2-methyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]pyridazin-3-one
CID 133303669
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
4-bromo-5-[(1-methylpiperidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114434924
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one (CID 158865045) is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one is CN1CCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1.CN1CCCCC(Nc2cnn(C)c(=O)c2Br)C1.CN1CCCCC(Nc2cnn(C)c(=O)c2Cl)C1.CN1[C@@H]2CC[C@H]1CC(Nc1cnn(C)c(=O)c1Cl)C2.Cc1c(NC2CCCCN(C)C2)cnn(C)c1=O.Cn1ncc(NC2CCCN(c3ccccn3)C2)c(Cl)c1=O.Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O.Cn1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O.Cn1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
The InChIKey is JBCUYCMJYYTMBU-KTRLULDOSA-N. The full InChI is InChI=1S/2C17H21ClN4O.C15H18ClN5O.C13H19ClN4O.C13H22N4O.C12H19BrN4O.C12H17ClN4O.2C12H19ClN4O.2C11H17ClN4O/c2*1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13;1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13;1-17-9-3-4-10(17)6-8(5-9)16-11-7-15-18(2)13(19)12(11)14;1-10-12(8-14-17(3)13(10)18)15-11-6-4-5-7-16(2)9-11;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-16-12(18)11(13)9(6-14-16)15-10-7-17-4-2-8(10)3-5-17;1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13;1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13;1-15-5-3-8(4-6-15)14-9-7-13-16(2)11(17)10(9)12;1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3;2-3,6-7,9,11,19H,4-5,8,10H2,1H3;7-10,16H,3-6H2,1-2H3;8,11,15H,4-7,9H2,1-3H3;7,9,15H,3-6,8H2,1-2H3;6,8,10,15H,2-5,7H2,1H3;8-9,15H,3-7H2,1-2H3;7,9,15H,3-6,8H2,1-2H3;7-8,14H,3-6H2,1-2H3;6,8,14H,3-5,7H2,1-2H3/t2*14-;;8?,9-,10+;;;;;;;/m10........./s1.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one?
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one has a molecular weight of 3157.55 g/mol, XLogP of 16.30, 27 rotatable bonds, 11 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one;5-[[(3S)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;5-[[(3R)-1-benzylpiperidin-3-yl]amino]-4-chloro-2-methylpyridazin-3-one;4-bromo-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-3-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one;4-chloro-2-methyl-5-[(1-pyridin-2-ylpiperidin-3-yl)amino]pyridazin-3-one;2,4-dimethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 158865045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).