(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C23H27N5O2 — CID 97361522

About (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 97361522) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 97361522
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: COc1ncccc1NC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1
• InChI: InChI=1S/C23H27N5O2/c1-16(2)28-15-25-18-11-13-27(14-17-8-5-4-6-9-17)21(20(18)28)22(29)26-19-10-7-12-24-23(19)30-3/h4-10,12,15-16,21H,11,13-14H2,1-3H3,(H,26,29)/t21-/m1/s1
• InChIKey: UHKUZWMOPRDRNP-OAQYLSRUSA-N
• XLogP: 3.61
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 97361522) is (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is COc1ncccc1NC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1.

What is the InChIKey of (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is UHKUZWMOPRDRNP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(2)28-15-25-18-11-13-27(14-17-8-5-4-6-9-17)21(20(18)28)22(29)26-19-10-7-12-24-23(19)30-3/h4-10,12,15-16,21H,11,13-14H2,1-3H3,(H,26,29)/t21-/m1/s1.

What are the key properties of (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

(4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-benzyl-N-(2-methoxy-3-pyridinyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 97361522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).