2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide

C26H25ClN6O — CID 167228524

About 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide (PubChem CID 167228524) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide
• PubChem CID: 167228524
• Molecular Formula: C26H25ClN6O
• Molecular Weight: 472.98 g/mol
• Exact Mass: 472.18
• IUPAC Name: 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide
• SMILES: CN(C(=O)C1CC1c1cccc(Cl)c1)c1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1
• InChI: InChI=1S/C26H25ClN6O/c1-32(26(34)22-10-21(22)17-3-2-4-19(27)9-17)25-11-23(29-15-30-25)28-12-20-14-33-13-18(16-5-6-16)7-8-24(33)31-20/h2-4,7-9,11,13-16,21-22H,5-6,10,12H2,1H3,(H,28,29,30)
• InChIKey: ZFNAIGYRMXONHQ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.98
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide (CID 167228524) is 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1CC1c1cccc(Cl)c1)c1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide?

The InChIKey is ZFNAIGYRMXONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-32(26(34)22-10-21(22)17-3-2-4-19(27)9-17)25-11-23(29-15-30-25)28-12-20-14-33-13-18(16-5-6-16)7-8-24(33)31-20/h2-4,7-9,11,13-16,21-22H,5-6,10,12H2,1H3,(H,28,29,30).

What are the key properties of 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide?

2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 167228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).