2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C25H29N7O — CID 126937103

IUPAC2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nc5c(cc4C#N)CCCC5)CC3)n2)n1
InChIInChI=1S/C25H29N7O/c1-16-13-17(2)31(29-16)23-11-12-24(33)32(30-23)21-9-7-20(8-10-21)27-25-19(15-26)14-18-5-3-4-6-22(18)28-25/h11-14,20-21H,3-10H2,1-2H3,(H,27,28)
InChIKeyUMQFMFUGOMSSJM-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.79
Rot. Bonds4

About 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 126937103) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID126937103
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nc5c(cc4C#N)CCCC5)CC3)n2)n1
InChIInChI=1S/C25H29N7O/c1-16-13-17(2)31(29-16)23-11-12-24(33)32(30-23)21-9-7-20(8-10-21)27-25-19(15-26)14-18-5-3-4-6-22(18)28-25/h11-14,20-21H,3-10H2,1-2H3,(H,27,28)
InChIKeyUMQFMFUGOMSSJM-UHFFFAOYSA-N
XLogP3.79
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(cyclobutylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937029
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(phthalazin-1-ylamino)cyclohexyl]pyridazin-3-one
CID 126937042
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(4-methylphthalazin-1-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937040
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936965
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]pyridazin-3-one
CID 126937133
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126936999
2-[4-[[2-(dimethylamino)pyrimidin-4-yl]amino]cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937088
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]pyridazin-3-one
CID 126937003
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103082181
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
6-(3,5-dimethylpyrazol-1-yl)-2-[4-(2-phenylethylamino)cyclohexyl]pyridazin-3-one
CID 126937014
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126937030

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 126937103) is 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1cc(C)n(-c2ccc(=O)n(C3CCC(Nc4nc5c(cc4C#N)CCCC5)CC3)n2)n1.
What is the InChIKey of 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is UMQFMFUGOMSSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-16-13-17(2)31(29-16)23-11-12-24(33)32(30-23)21-9-7-20(8-10-21)27-25-19(15-26)14-18-5-3-4-6-22(18)28-25/h11-14,20-21H,3-10H2,1-2H3,(H,27,28).
What are the key properties of 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 443.56 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 126937103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).