N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide

C27H22F2N6O4 — CID 58158620

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 58158620) has the molecular formula C27H22F2N6O4 and a molecular weight of 532.51 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
• PubChem CID: 58158620
• Molecular Formula: C27H22F2N6O4
• Molecular Weight: 532.51 g/mol
• Exact Mass: 532.17
• IUPAC Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
• SMILES: O=C(Nc1cn2cc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)ccc2n1)C1CC1
• InChI: InChI=1S/C27H22F2N6O4/c28-17-3-6-19(7-4-17)34-11-12-35(27(34)38)26(37)30-18-5-9-22(21(29)13-18)39-20-8-10-24-31-23(15-33(24)14-20)32-25(36)16-1-2-16/h3-10,13-16H,1-2,11-12H2,(H,30,37)(H,32,36)
• InChIKey: VTMFZKJUONEEEB-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide (CID 58158620) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide.

What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide is O=C(Nc1cn2cc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)ccc2n1)C1CC1.

What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

The InChIKey is VTMFZKJUONEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N6O4/c28-17-3-6-19(7-4-17)34-11-12-35(27(34)38)26(37)30-18-5-9-22(21(29)13-18)39-20-8-10-24-31-23(15-33(24)14-20)32-25(36)16-1-2-16/h3-10,13-16H,1-2,11-12H2,(H,30,37)(H,32,36).

What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide?

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 532.51 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 58158620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).