trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

C26H26ClN5O — CID 165132388

About trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 165132388) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[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-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 165132388
• Molecular Formula: C26H26ClN5O
• Molecular Weight: 459.98 g/mol
• Exact Mass: 459.18
• IUPAC Name: trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CC(C)c1ccc2nc(CNc3ccnc(NC(=O)[C@H]4C[C@@H]4c4cccc(Cl)c4)c3)cn2c1
• InChI: InChI=1S/C26H26ClN5O/c1-16(2)18-6-7-25-30-21(15-32(25)14-18)13-29-20-8-9-28-24(11-20)31-26(33)23-12-22(23)17-4-3-5-19(27)10-17/h3-11,14-16,22-23H,12-13H2,1-2H3,(H2,28,29,31,33)/t22-,23+/m1/s1
• InChIKey: YIQNYYNVQYXETA-PKTZIBPZSA-N
• XLogP: 5.86
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.98
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[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-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 165132388) is trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[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-propan-2-ylimidazo[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-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is CC(C)c1ccc2nc(CNc3ccnc(NC(=O)[C@H]4C[C@@H]4c4cccc(Cl)c4)c3)cn2c1.

What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is YIQNYYNVQYXETA-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H26ClN5O/c1-16(2)18-6-7-25-30-21(15-32(25)14-18)13-29-20-8-9-28-24(11-20)31-26(33)23-12-22(23)17-4-3-5-19(27)10-17/h3-11,14-16,22-23H,12-13H2,1-2H3,(H2,28,29,31,33)/t22-,23+/m1/s1.

What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 459.98 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(3-chlorophenyl)-N-[4-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 165132388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).