3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone

C80H89Br4Cl4N21O — CID 157408342

IUPAC3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)C2)CC1.CN1CCCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)C1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1
InChIInChI=1S/C25H30BrClN6O.C19H21BrClN5.2C18H19BrClN5/c1-17(34)31-11-8-19(9-12-31)32-10-4-5-18(16-32)14-28-24-13-23(20-6-2-3-7-22(20)27)30-25-21(26)15-29-33(24)25;1-25-8-4-5-13(12-25)10-22-18-9-17(14-6-2-3-7-16(14)21)24-19-15(20)11-23-26(18)19;2*19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h2-3,6-7,13,15,18-19,28H,4-5,8-12,14,16H2,1H3;2-3,6-7,9,11,13,22H,4-5,8,10,12H2,1H3;2*1-2,5-6,8,11-12,21-22H,3-4,7,9-10H2
InChIKeyBNZIBMQCGUWTRP-UHFFFAOYSA-N
MW1822.17 g/mol
LogP17.96
Rot. Bonds17

About 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone

3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 157408342) has the molecular formula C80H89Br4Cl4N21O and a molecular weight of 1822.17 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID157408342
Molecular FormulaC80H89Br4Cl4N21O
Molecular Weight1822.17 g/mol
Exact Mass1815.30
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCCC(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)C2)CC1.CN1CCCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)C1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1
InChIInChI=1S/C25H30BrClN6O.C19H21BrClN5.2C18H19BrClN5/c1-17(34)31-11-8-19(9-12-31)32-10-4-5-18(16-32)14-28-24-13-23(20-6-2-3-7-22(20)27)30-25-21(26)15-29-33(24)25;1-25-8-4-5-13(12-25)10-22-18-9-17(14-6-2-3-7-16(14)21)24-19-15(20)11-23-26(18)19;2*19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h2-3,6-7,13,15,18-19,28H,4-5,8-12,14,16H2,1H3;2-3,6-7,9,11,13,22H,4-5,8,10,12H2,1H3;2*1-2,5-6,8,11-12,21-22H,3-4,7,9-10H2
InChIKeyBNZIBMQCGUWTRP-UHFFFAOYSA-N
XLogP17.96
TPSA219.73 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.17
LogP ≤ 517.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-ethynylpiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157197394
N-[2-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;2-[2-[2-(2-chlorophenyl)-6-[(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]pyrimidin-4-yl]ethyl-methylamino]-N,N-dimethylacetamide;5-fluoro-N-[6-(2-piperazin-1-ylethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157595324
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158837612
3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159183560
3-bromo-5-(2-chlorophenyl)-N-(1-ethylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159468118
5-bromo-4-chloro-3-phenyl-7H-pyrrolo[2,3-c]pyridazine;2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
CID 160075663
3-bromo-5-tert-butyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-chloro-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-chloro-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160437289
5-(5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 165034028
1-[3-[[[3-Bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2,2-diphenylethanone
CID 21065368
1-[3-[[[3-Bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 21065377
(E)-1-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 21065383
1-[4-[3-[[[3-Bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 21065412

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone (CID 157408342) is 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCCC(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)C2)CC1.CN1CCCC(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)C1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1.Clc1ccccc1-c1cc(NCC2CCCNC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BNZIBMQCGUWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrClN6O.C19H21BrClN5.2C18H19BrClN5/c1-17(34)31-11-8-19(9-12-31)32-10-4-5-18(16-32)14-28-24-13-23(20-6-2-3-7-22(20)27)30-25-21(26)15-29-33(24)25;1-25-8-4-5-13(12-25)10-22-18-9-17(14-6-2-3-7-16(14)21)24-19-15(20)11-23-26(18)19;2*19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h2-3,6-7,13,15,18-19,28H,4-5,8-12,14,16H2,1H3;2-3,6-7,9,11,13,22H,4-5,8,10,12H2,1H3;2*1-2,5-6,8,11-12,21-22H,3-4,7,9-10H2.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone?
3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1822.17 g/mol, XLogP of 17.96, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;bis(3-bromo-5-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);1-[4-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157408342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).