trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C32H31ClN6O2 — CID 165131963

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165131963) has the molecular formula C32H31ClN6O2 and a molecular weight of 567.09 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 165131963
• Molecular Formula: C32H31ClN6O2
• Molecular Weight: 567.09 g/mol
• Exact Mass: 566.22
• IUPAC Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(N4C(=O)[C@@H]5CC[C@H]4C5)c3n2)ccn1)[C@H]1C[C@@H]1c1cccc(Cl)c1
• InChI: InChI=1S/C32H31ClN6O2/c33-22-3-1-2-19(10-22)26-14-27(26)31(40)37-29-13-23(8-9-34-29)35-15-24-17-38-16-21(18-4-5-18)12-28(30(38)36-24)39-25-7-6-20(11-25)32(39)41/h1-3,8-10,12-13,16-18,20,25-27H,4-7,11,14-15H2,(H2,34,35,37,40)/t20-,25+,26-,27+/m1/s1
• InChIKey: CLGVXLKHLJYBEC-YJECHUCRSA-N
• XLogP: 6.13
• TPSA: 91.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.09
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165131963) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(N4C(=O)[C@@H]5CC[C@H]4C5)c3n2)ccn1)[C@H]1C[C@@H]1c1cccc(Cl)c1.

What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is CLGVXLKHLJYBEC-YJECHUCRSA-N. The full InChI is InChI=1S/C32H31ClN6O2/c33-22-3-1-2-19(10-22)26-14-27(26)31(40)37-29-13-23(8-9-34-29)35-15-24-17-38-16-21(18-4-5-18)12-28(30(38)36-24)39-25-7-6-20(11-25)32(39)41/h1-3,8-10,12-13,16-18,20,25-27H,4-7,11,14-15H2,(H2,34,35,37,40)/t20-,25+,26-,27+/m1/s1.

What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 567.09 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).