2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide

C25H22ClN5O2 — CID 175507786

About 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 175507786) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 175507786
• Molecular Formula: C25H22ClN5O2
• Molecular Weight: 459.94 g/mol
• Exact Mass: 459.15
• IUPAC Name: 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1ncncc1OCc1cn2cc(C3CC3)ccc2n1)C1CC1c1cccc(Cl)c1
• InChI: InChI=1S/C25H22ClN5O2/c26-18-3-1-2-16(8-18)20-9-21(20)25(32)30-24-22(10-27-14-28-24)33-13-19-12-31-11-17(15-4-5-15)6-7-23(31)29-19/h1-3,6-8,10-12,14-15,20-21H,4-5,9,13H2,(H,27,28,30,32)
• InChIKey: NYIRLDHVSMBPJK-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.94
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 175507786) is 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide is O=C(Nc1ncncc1OCc1cn2cc(C3CC3)ccc2n1)C1CC1c1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide?

The InChIKey is NYIRLDHVSMBPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-18-3-1-2-16(8-18)20-9-21(20)25(32)30-24-22(10-27-14-28-24)33-13-19-12-31-11-17(15-4-5-15)6-7-23(31)29-19/h1-3,6-8,10-12,14-15,20-21H,4-5,9,13H2,(H,27,28,30,32).

What are the key properties of 2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide?

2-(3-chlorophenyl)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 4.98, 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-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175507786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).