trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C24H22ClN5OS — CID 171473412

About trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 171473412) has the molecular formula C24H22ClN5OS and a molecular weight of 463.99 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 171473412
• Molecular Formula: C24H22ClN5OS
• Molecular Weight: 463.99 g/mol
• Exact Mass: 463.12
• IUPAC Name: trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1ccc(Cl)s1
• InChI: InChI=1S/C24H22ClN5OS/c25-21-5-4-20(32-21)18-10-19(18)24(31)29-22-9-16(7-8-26-22)27-11-17-13-30-12-15(14-1-2-14)3-6-23(30)28-17/h3-9,12-14,18-19H,1-2,10-11H2,(H2,26,27,29,31)/t18-,19-/m0/s1
• InChIKey: QJEBMUVCJWEUNO-OALUTQOASA-N
• XLogP: 5.68
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.99
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 171473412) is trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1ccc(Cl)s1.

What is the InChIKey of trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is QJEBMUVCJWEUNO-OALUTQOASA-N. The full InChI is InChI=1S/C24H22ClN5OS/c25-21-5-4-20(32-21)18-10-19(18)24(31)29-22-9-16(7-8-26-22)27-11-17-13-30-12-15(14-1-2-14)3-6-23(30)28-17/h3-9,12-14,18-19H,1-2,10-11H2,(H2,26,27,29,31)/t18-,19-/m0/s1.

What are the key properties of trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(5-chlorothiophen-2-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).