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

C27H22F2N6O4 — CID 58158620

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
SMILESO=C(Nc1cn2cc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)ccc2n1)C1CC1
InChIInChI=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)
InChIKeyVTMFZKJUONEEEB-UHFFFAOYSA-N
MW532.51 g/mol
LogP5.23
Rot. Bonds6

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 NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
PubChem CID58158620
Molecular FormulaC27H22F2N6O4
Molecular Weight532.51 g/mol
Exact Mass532.17
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
SMILESO=C(Nc1cn2cc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)ccc2n1)C1CC1
InChIInChI=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)
InChIKeyVTMFZKJUONEEEB-UHFFFAOYSA-N
XLogP5.23
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).