4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one

C26H35ClN4O3 — CID 168963118

IUPAC4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one
SMILESCO[C@H]1CCOC[C@H]1CNc1cnn(C2CCC(Nc3ccc(C4CC4)cc3)CC2)c(=O)c1Cl
InChIInChI=1S/C26H35ClN4O3/c1-33-24-12-13-34-16-19(24)14-28-23-15-29-31(26(32)25(23)27)22-10-8-21(9-11-22)30-20-6-4-18(5-7-20)17-2-3-17/h4-7,15,17,19,21-22,24,28,30H,2-3,8-14,16H2,1H3/t19-,21?,22?,24+/m1/s1
InChIKeyYTDRJDVYFJWQLI-DKCHYQOTSA-N
MW487.04 g/mol
LogP4.83
Rot. Bonds8

About 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one

4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one (PubChem CID 168963118) has the molecular formula C26H35ClN4O3 and a molecular weight of 487.04 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one
PubChem CID168963118
Molecular FormulaC26H35ClN4O3
Molecular Weight487.04 g/mol
Exact Mass486.24
IUPAC Name4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one
SMILESCO[C@H]1CCOC[C@H]1CNc1cnn(C2CCC(Nc3ccc(C4CC4)cc3)CC2)c(=O)c1Cl
InChIInChI=1S/C26H35ClN4O3/c1-33-24-12-13-34-16-19(24)14-28-23-15-29-31(26(32)25(23)27)22-10-8-21(9-11-22)30-20-6-4-18(5-7-20)17-2-3-17/h4-7,15,17,19,21-22,24,28,30H,2-3,8-14,16H2,1H3/t19-,21?,22?,24+/m1/s1
InChIKeyYTDRJDVYFJWQLI-DKCHYQOTSA-N
XLogP4.83
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.04
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[1-(4-cyclopropylphenyl)sulfanylpiperidin-4-yl]-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168963522
4-[4-[[(3R,4S)-4-aminooxan-3-yl]methylamino]-5-chloro-6-oxopyridazin-1-yl]-N-phenylpiperidine-1-sulfonamide
CID 168963773
4,5-dichloro-2-[4-[4-(fluoromethoxy)anilino]cyclohexyl]pyridazin-3-one
CID 171823808
4-chloro-2-[4-[N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-(trifluoromethoxy)anilino]cyclohexyl]-5-[[(3R,4R)-4-methyloxan-3-yl]methylamino]pyridazin-3-one
CID 170108892
4-chloro-2-[4-[N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methoxyanilino]cyclohexyl]-5-[[(1R,5R,6S,7R)-7-methyl-3-oxabicyclo[4.1.0]heptan-5-yl]methylamino]pyridazin-3-one
CID 168962906
4-chloro-2-[1-(2,6-dimethylphenyl)piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963289
4-chloro-2-[4-(1,1-dioxothian-4-yl)phenyl]-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168962902
4-chloro-2-[1-(2,6-dimethylphenyl)piperidin-4-yl]-5-[[(3S)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963336
4-chloro-5-[[(3S)-oxan-3-yl]methylamino]-2-(1-phenylpiperidin-4-yl)pyridazin-3-one
CID 168963423
4-chloro-2-[1-(2-methylphenyl)piperidin-4-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168963482
5-[4-[5-chloro-4-(oxan-3-ylmethylamino)-6-oxopyridazin-1-yl]piperidin-1-yl]sulfanyl-2-methoxybenzonitrile
CID 168963550
1-[4-[5-chloro-4-(oxan-3-ylmethylamino)-6-oxopyridazin-1-yl]cyclohexyl]-3-methylbenzimidazol-2-one;N-methylformamide
CID 168963638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one (CID 168963118) is 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one is CO[C@H]1CCOC[C@H]1CNc1cnn(C2CCC(Nc3ccc(C4CC4)cc3)CC2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one?
The InChIKey is YTDRJDVYFJWQLI-DKCHYQOTSA-N. The full InChI is InChI=1S/C26H35ClN4O3/c1-33-24-12-13-34-16-19(24)14-28-23-15-29-31(26(32)25(23)27)22-10-8-21(9-11-22)30-20-6-4-18(5-7-20)17-2-3-17/h4-7,15,17,19,21-22,24,28,30H,2-3,8-14,16H2,1H3/t19-,21?,22?,24+/m1/s1.
What are the key properties of 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one?
4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one has a molecular weight of 487.04 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-cyclopropylanilino)cyclohexyl]-5-[[(3R,4S)-4-methoxyoxan-3-yl]methylamino]pyridazin-3-one is sourced from PubChem (CID 168963118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).