4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile

C21H24N6 — CID 69258406

IUPAC4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCc3ccn[nH]3)cc2c1NC1CCCCCC1
InChIInChI=1S/C21H24N6/c22-12-15-13-24-20-8-7-17(23-14-18-9-10-25-27-18)11-19(20)21(15)26-16-5-3-1-2-4-6-16/h7-11,13,16,23H,1-6,14H2,(H,24,26)(H,25,27)
InChIKeyVAWFHYRWBJBSIL-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.58
Rot. Bonds5

About 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile

4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile (PubChem CID 69258406) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile
PubChem CID69258406
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCc3ccn[nH]3)cc2c1NC1CCCCCC1
InChIInChI=1S/C21H24N6/c22-12-15-13-24-20-8-7-17(23-14-18-9-10-25-27-18)11-19(20)21(15)26-16-5-3-1-2-4-6-16/h7-11,13,16,23H,1-6,14H2,(H,24,26)(H,25,27)
InChIKeyVAWFHYRWBJBSIL-UHFFFAOYSA-N
XLogP4.58
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ly-364947
CID 447966
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
(5S)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166728012
(5R)-5-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 167269968
4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 10469233
4-(1H-pyrazol-4-yl)quinoline
CID 4338220
(R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890638
2-[[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]amino]benzonitrile
CID 168279642
4-(3-phenyl-1H-pyrazol-4-yl)quinoline
CID 3539049
4-[5-Methyl-3-(6-methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10040459
4-(5-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 10380809
4-(3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11033585

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile (CID 69258406) is 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(NCc3ccn[nH]3)cc2c1NC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile?
The InChIKey is VAWFHYRWBJBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c22-12-15-13-24-20-8-7-17(23-14-18-9-10-25-27-18)11-19(20)21(15)26-16-5-3-1-2-4-6-16/h7-11,13,16,23H,1-6,14H2,(H,24,26)(H,25,27).
What are the key properties of 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile?
4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile has a molecular weight of 360.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-6-(1H-pyrazol-5-ylmethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 69258406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).