[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone

C25H27N7O — CID 68681016

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone (PubChem CID 68681016) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
• PubChem CID: 68681016
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
• SMILES: Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)N3CCC(N(C)C)C3)cc2)n1
• InChI: InChI=1S/C25H27N7O/c1-17-23(32-14-5-4-6-22(32)27-17)21-11-13-26-25(29-21)28-19-9-7-18(8-10-19)24(33)31-15-12-20(16-31)30(2)3/h4-11,13-14,20H,12,15-16H2,1-3H3,(H,26,28,29)
• InChIKey: MOUGTUIMWLNRTP-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone?

The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone (CID 68681016) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone.

What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone?

The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone is Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)N3CCC(N(C)C)C3)cc2)n1.

What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone?

The InChIKey is MOUGTUIMWLNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17-23(32-14-5-4-6-22(32)27-17)21-11-13-26-25(29-21)28-19-9-7-18(8-10-19)24(33)31-15-12-20(16-31)30(2)3/h4-11,13-14,20H,12,15-16H2,1-3H3,(H,26,28,29).

What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone?

[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone has a molecular weight of 441.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 68681016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).