2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C27H24ClN9O — CID 170774625

About 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 170774625) has the molecular formula C27H24ClN9O and a molecular weight of 526.00 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 170774625
• Molecular Formula: C27H24ClN9O
• Molecular Weight: 526.00 g/mol
• Exact Mass: 525.18
• IUPAC Name: 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)ncn1)C1CC1c1cccc(Cl)c1
• InChI: InChI=1S/C27H24ClN9O/c28-19-3-1-2-17(6-19)21-8-22(21)27(38)35-25-9-24(30-13-31-25)29-10-20-12-36-11-18(16-4-5-16)7-23(26(36)34-20)37-14-32-33-15-37/h1-3,6-7,9,11-16,21-22H,4-5,8,10H2,(H2,29,30,31,35,38)
• InChIKey: QJNKCZVMDGIMAI-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 114.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.00
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 170774625) is 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(-n4cnnc4)c3n2)ncn1)C1CC1c1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The InChIKey is QJNKCZVMDGIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN9O/c28-19-3-1-2-17(6-19)21-8-22(21)27(38)35-25-9-24(30-13-31-25)29-10-20-12-36-11-18(16-4-5-16)7-23(26(36)34-20)37-14-32-33-15-37/h1-3,6-7,9,11-16,21-22H,4-5,8,10H2,(H2,29,30,31,35,38).

What are the key properties of 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?

2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 526.00 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).