5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide

C40H40N8O — CID 67163353

About 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide

5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 67163353) has the molecular formula C40H40N8O and a molecular weight of 648.82 g/mol. Its IUPAC name is 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide
• PubChem CID: 67163353
• Molecular Formula: C40H40N8O
• Molecular Weight: 648.82 g/mol
• Exact Mass: 648.33
• IUPAC Name: 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide
• SMILES: Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(C4CCN(C(C)C)C4)cc3)n2)c1
• InChI: InChI=1S/C40H40N8O/c1-26(2)46-21-17-31(25-46)28-11-13-32(14-12-28)42-39-41-19-16-34(44-39)38-37(45-36-9-4-5-20-48(36)38)30-7-6-8-33(24-30)43-40(49)47-22-18-29-23-27(3)10-15-35(29)47/h4-16,19-20,23-24,26,31H,17-18,21-22,25H2,1-3H3,(H,43,49)(H,41,42,44)
• InChIKey: KJAJYTHLUYYJMO-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 90.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.82
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide?

The IUPAC name of 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide (CID 67163353) is 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide is Cc1ccc2c(c1)CCN2C(=O)Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(C4CCN(C(C)C)C4)cc3)n2)c1.

What is the InChIKey of 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide?

The InChIKey is KJAJYTHLUYYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N8O/c1-26(2)46-21-17-31(25-46)28-11-13-32(14-12-28)42-39-41-19-16-34(44-39)38-37(45-36-9-4-5-20-48(36)38)30-7-6-8-33(24-30)43-40(49)47-22-18-29-23-27(3)10-15-35(29)47/h4-16,19-20,23-24,26,31H,17-18,21-22,25H2,1-3H3,(H,43,49)(H,41,42,44).

What are the key properties of 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide?

5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 648.82 g/mol, XLogP of 8.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-[3-[2-[4-(1-propan-2-ylpyrrolidin-3-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 67163353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).