(7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C18H23N3O3 — CID 97329891

About (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97329891) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
• PubChem CID: 97329891
• Molecular Formula: C18H23N3O3
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.17
• IUPAC Name: (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
• SMILES: O=C([C@H]1CCn2cncc2C1)N(Cc1ccco1)C[C@@H]1CCCO1
• InChI: InChI=1S/C18H23N3O3/c22-18(14-5-6-20-13-19-10-15(20)9-14)21(11-16-3-1-7-23-16)12-17-4-2-8-24-17/h1,3,7,10,13-14,17H,2,4-6,8-9,11-12H2/t14-,17-/m0/s1
• InChIKey: BRNLAXQKBGKUEH-YOEHRIQHSA-N
• XLogP: 2.25
• TPSA: 60.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?

The IUPAC name of (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97329891) is (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

What is the SMILES notation for (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?

The canonical SMILES for (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C([C@H]1CCn2cncc2C1)N(Cc1ccco1)C[C@@H]1CCCO1.

What is the InChIKey of (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?

The InChIKey is BRNLAXQKBGKUEH-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(14-5-6-20-13-19-10-15(20)9-14)21(11-16-3-1-7-23-16)12-17-4-2-8-24-17/h1,3,7,10,13-14,17H,2,4-6,8-9,11-12H2/t14-,17-/m0/s1.

What are the key properties of (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?

(7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97329891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).