(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C18H29N3O — CID 97330675

IUPAC(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCn2cncc2C1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-18(2,15-6-4-3-5-7-15)12-20-17(22)14-8-9-21-13-19-11-16(21)10-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyJQTCYYLBUUPYNL-AWEZNQCLSA-N
MW303.45 g/mol
LogP3.17
Rot. Bonds4

About (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97330675) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97330675
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)(CNC(=O)[C@H]1CCn2cncc2C1)C1CCCCC1
InChIInChI=1S/C18H29N3O/c1-18(2,15-6-4-3-5-7-15)12-20-17(22)14-8-9-21-13-19-11-16(21)10-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyJQTCYYLBUUPYNL-AWEZNQCLSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97330675) is (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is CC(C)(CNC(=O)[C@H]1CCn2cncc2C1)C1CCCCC1.
What is the InChIKey of (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is JQTCYYLBUUPYNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,15-6-4-3-5-7-15)12-20-17(22)14-8-9-21-13-19-11-16(21)10-14/h11,13-15H,3-10,12H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2-cyclohexyl-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97330675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).