[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

C23H29N7O — CID 97448198

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (PubChem CID 97448198) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
• PubChem CID: 97448198
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
• SMILES: CN(C)[C@@H]1CCN(C(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)C1
• InChI: InChI=1S/C23H29N7O/c1-27(2)20-8-11-29(16-20)23(31)19-5-6-21-25-26-22(30(21)15-19)18-7-10-28(14-18)13-17-4-3-9-24-12-17/h3-6,9,12,15,18,20H,7-8,10-11,13-14,16H2,1-2H3/t18-,20+/m0/s1
• InChIKey: BZCBUKFDTOWPDG-AZUAARDMSA-N
• XLogP: 1.89
• TPSA: 69.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?

The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (CID 97448198) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.

What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?

The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is CN(C)[C@@H]1CCN(C(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)C1.

What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?

The InChIKey is BZCBUKFDTOWPDG-AZUAARDMSA-N. The full InChI is InChI=1S/C23H29N7O/c1-27(2)20-8-11-29(16-20)23(31)19-5-6-21-25-26-22(30(21)15-19)18-7-10-28(14-18)13-17-4-3-9-24-12-17/h3-6,9,12,15,18,20H,7-8,10-11,13-14,16H2,1-2H3/t18-,20+/m0/s1.

What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is sourced from PubChem (CID 97448198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).