(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C20H24N4O3 — CID 124806479

About (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 124806479) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
• PubChem CID: 124806479
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
• SMILES: Cn1cnc2c1[C@H](C(=O)NCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2
• InChI: InChI=1S/C20H24N4O3/c1-23-11-22-16-10-24(8-14-4-5-17-18(6-14)27-12-26-17)9-15(19(16)23)20(25)21-7-13-2-3-13/h4-6,11,13,15H,2-3,7-10,12H2,1H3,(H,21,25)/t15-/m1/s1
• InChIKey: AVPPSTCQQBRZNP-OAHLLOKOSA-N
• XLogP: 1.77
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The IUPAC name of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 124806479) is (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

What is the SMILES notation for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The canonical SMILES for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is Cn1cnc2c1[C@H](C(=O)NCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2.

What is the InChIKey of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

The InChIKey is AVPPSTCQQBRZNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23-11-22-16-10-24(8-14-4-5-17-18(6-14)27-12-26-17)9-15(19(16)23)20(25)21-7-13-2-3-13/h4-6,11,13,15H,2-3,7-10,12H2,1H3,(H,21,25)/t15-/m1/s1.

What are the key properties of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?

(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 124806479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).