2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline

C21H24N4 — CID 110459045

IUPAC2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline
SMILESc1ccc2nc(-n3nc(C4CCCCC4)c4c3CCNC4)ccc2c1
InChIInChI=1S/C21H24N4/c1-2-7-16(8-3-1)21-17-14-22-13-12-19(17)25(24-21)20-11-10-15-6-4-5-9-18(15)23-20/h4-6,9-11,16,22H,1-3,7-8,12-14H2
InChIKeyOROYEJYCCLTBBU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.11
Rot. Bonds2

About 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline

2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline (PubChem CID 110459045) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline.

Molecular Properties

Compound Name2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline
PubChem CID110459045
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline
SMILESc1ccc2nc(-n3nc(C4CCCCC4)c4c3CCNC4)ccc2c1
InChIInChI=1S/C21H24N4/c1-2-7-16(8-3-1)21-17-14-22-13-12-19(17)25(24-21)20-11-10-15-6-4-5-9-18(15)23-20/h4-6,9-11,16,22H,1-3,7-8,12-14H2
InChIKeyOROYEJYCCLTBBU-UHFFFAOYSA-N
XLogP4.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline?
The IUPAC name of 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline (CID 110459045) is 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline.
What is the SMILES notation for 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline?
The canonical SMILES for 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline is c1ccc2nc(-n3nc(C4CCCCC4)c4c3CCNC4)ccc2c1.
What is the InChIKey of 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline?
The InChIKey is OROYEJYCCLTBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-7-16(8-3-1)21-17-14-22-13-12-19(17)25(24-21)20-11-10-15-6-4-5-9-18(15)23-20/h4-6,9-11,16,22H,1-3,7-8,12-14H2.
What are the key properties of 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline?
2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline has a molecular weight of 332.45 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)quinoline is sourced from PubChem (CID 110459045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).