(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C21H32N6O — CID 97339653

IUPAC(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C21H32N6O/c1-15(2)19-25-24-14-26(19)11-9-22-21(28)17-8-10-27-18(12-17)13-23-20(27)16-6-4-3-5-7-16/h13-17H,3-12H2,1-2H3,(H,22,28)/t17-/m1/s1
InChIKeyUWKKVHRQXJEPLZ-QGZVFWFLSA-N
MW384.53 g/mol
LogP3.02
Rot. Bonds6

About (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339653) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339653
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1
InChIInChI=1S/C21H32N6O/c1-15(2)19-25-24-14-26(19)11-9-22-21(28)17-8-10-27-18(12-17)13-23-20(27)16-6-4-3-5-7-16/h13-17H,3-12H2,1-2H3,(H,22,28)/t17-/m1/s1
InChIKeyUWKKVHRQXJEPLZ-QGZVFWFLSA-N
XLogP3.02
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339653) is (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CC(C)c1nncn1CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1.
What is the InChIKey of (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is UWKKVHRQXJEPLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N6O/c1-15(2)19-25-24-14-26(19)11-9-22-21(28)17-8-10-27-18(12-17)13-23-20(27)16-6-4-3-5-7-16/h13-17H,3-12H2,1-2H3,(H,22,28)/t17-/m1/s1.
What are the key properties of (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).