3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C29H30N10O — CID 155678693

About 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678693) has the molecular formula C29H30N10O and a molecular weight of 534.63 g/mol. Its IUPAC name is 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155678693
• Molecular Formula: C29H30N10O
• Molecular Weight: 534.63 g/mol
• Exact Mass: 534.26
• IUPAC Name: 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N5C[C@@H]6C[C@H]5CN6C)n4)c(N)nc3-c3ccc[nH]3)cn12
• InChI: InChI=1S/C29H30N10O/c1-17-12-32-23-9-8-18(14-38(17)23)25-26(22-6-4-10-31-22)36-28(30)27(35-25)29(40)33-13-19-5-3-7-24(34-19)39-16-20-11-21(39)15-37(20)2/h3-10,12,14,20-21,31H,11,13,15-16H2,1-2H3,(H2,30,36)(H,33,40)/t20-,21-/m0/s1
• InChIKey: VVPGLEUJEUIJJX-SFTDATJTSA-N
• XLogP: 2.89
• TPSA: 133.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.63
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678693) is 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N5C[C@@H]6C[C@H]5CN6C)n4)c(N)nc3-c3ccc[nH]3)cn12.

What is the InChIKey of 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

The InChIKey is VVPGLEUJEUIJJX-SFTDATJTSA-N. The full InChI is InChI=1S/C29H30N10O/c1-17-12-32-23-9-8-18(14-38(17)23)25-26(22-6-4-10-31-22)36-28(30)27(35-25)29(40)33-13-19-5-3-7-24(34-19)39-16-20-11-21(39)15-37(20)2/h3-10,12,14,20-21,31H,11,13,15-16H2,1-2H3,(H2,30,36)(H,33,40)/t20-,21-/m0/s1.

What are the key properties of 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 534.63 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).