N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C26H28N6O2 — CID 155167408

About N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167408) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 155167408
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)[C@H]1C[C@H]2CC[C@@H]1C2
• InChI: InChI=1S/C26H28N6O2/c1-30(22-11-17-5-7-19(22)10-17)14-18-6-8-23-28-20(16-31(23)15-18)13-27-26(34)21-12-25(33)32-9-3-2-4-24(32)29-21/h2-4,6,8-9,12,15-17,19,22H,5,7,10-11,13-14H2,1H3,(H,27,34)/t17-,19+,22-/m0/s1
• InChIKey: FDRNUQJBPBLUAY-KPLVRAHFSA-N
• XLogP: 2.89
• TPSA: 84.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167408) is N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CN(Cc1ccc2nc(CNC(=O)c3cc(=O)n4ccccc4n3)cn2c1)[C@H]1C[C@H]2CC[C@@H]1C2.

What is the InChIKey of N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is FDRNUQJBPBLUAY-KPLVRAHFSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-30(22-11-17-5-7-19(22)10-17)14-18-6-8-23-28-20(16-31(23)15-18)13-27-26(34)21-12-25(33)32-9-3-2-4-24(32)29-21/h2-4,6,8-9,12,15-17,19,22H,5,7,10-11,13-14H2,1H3,(H,27,34)/t17-,19+,22-/m0/s1.

What are the key properties of N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).