1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide

C31H33N7O3 — CID 126643289

About 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide

1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide (PubChem CID 126643289) has the molecular formula C31H33N7O3 and a molecular weight of 551.65 g/mol. Its IUPAC name is 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide
• PubChem CID: 126643289
• Molecular Formula: C31H33N7O3
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.26
• IUPAC Name: 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide
• SMILES: Cc1cccc(NC(=O)[C@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc5n4CCCC5)ccc32)n1
• InChI: InChI=1S/C31H33N7O3/c1-18-5-4-6-26(34-18)35-31(41)29-20-8-10-21(13-20)38(29)28(39)17-36-16-23(30(32)40)22-14-19(9-11-24(22)36)25-15-33-27-7-2-3-12-37(25)27/h4-6,9,11,14-16,20-21,29H,2-3,7-8,10,12-13,17H2,1H3,(H2,32,40)(H,34,35,41)/t20-,21+,29+/m0/s1
• InChIKey: JTSZRCGGZHYTBB-BNJCFXFUSA-N
• XLogP: 3.66
• TPSA: 128.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide?

The IUPAC name of 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide (CID 126643289) is 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide.

What is the SMILES notation for 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide?

The canonical SMILES for 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide is Cc1cccc(NC(=O)[C@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc5n4CCCC5)ccc32)n1.

What is the InChIKey of 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide?

The InChIKey is JTSZRCGGZHYTBB-BNJCFXFUSA-N. The full InChI is InChI=1S/C31H33N7O3/c1-18-5-4-6-26(34-18)35-31(41)29-20-8-10-21(13-20)38(29)28(39)17-36-16-23(30(32)40)22-14-19(9-11-24(22)36)25-15-33-27-7-2-3-12-37(25)27/h4-6,9,11,14-16,20-21,29H,2-3,7-8,10,12-13,17H2,1H3,(H2,32,40)(H,34,35,41)/t20-,21+,29+/m0/s1.

What are the key properties of 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide?

1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide is sourced from PubChem (CID 126643289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).