N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide

C31H25F2N5O4 — CID 58158592

IUPACN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C31H25F2N5O4/c1-17-13-24(31(41)38(18(17)2)22-8-5-20(32)6-9-22)30(40)34-21-7-11-26(25(33)14-21)42-23-10-12-28-35-27(16-37(28)15-23)36-29(39)19-3-4-19/h5-16,19H,3-4H2,1-2H3,(H,34,40)(H,36,39)
InChIKeySYTSDKWGZZYPNN-UHFFFAOYSA-N
MW569.57 g/mol
LogP5.77
Rot. Bonds7

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 58158592) has the molecular formula C31H25F2N5O4 and a molecular weight of 569.57 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID58158592
Molecular FormulaC31H25F2N5O4
Molecular Weight569.57 g/mol
Exact Mass569.19
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C31H25F2N5O4/c1-17-13-24(31(41)38(18(17)2)22-8-5-20(32)6-9-22)30(40)34-21-7-11-26(25(33)14-21)42-23-10-12-28-35-27(16-37(28)15-23)36-29(39)19-3-4-19/h5-16,19H,3-4H2,1-2H3,(H,34,40)(H,36,39)
InChIKeySYTSDKWGZZYPNN-UHFFFAOYSA-N
XLogP5.77
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.57
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide (CID 58158592) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is SYTSDKWGZZYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N5O4/c1-17-13-24(31(41)38(18(17)2)22-8-5-20(32)6-9-22)30(40)34-21-7-11-26(25(33)14-21)42-23-10-12-28-35-27(16-37(28)15-23)36-29(39)19-3-4-19/h5-16,19H,3-4H2,1-2H3,(H,34,40)(H,36,39).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 569.57 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 58158592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).