7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C30H30F2N6O4 — CID 123329306

IUPAC7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(N)=O)c(F)c4)ccn23)c1
InChIInChI=1S/C30H30F2N6O4/c1-30(2)17-42-12-11-37(30)10-8-34-28(40)20-4-6-22(31)24(14-20)36-29(41)25-16-35-26-15-19(7-9-38(25)26)18-3-5-21(27(33)39)23(32)13-18/h3-7,9,13-16H,8,10-12,17H2,1-2H3,(H2,33,39)(H,34,40)(H,36,41)
InChIKeyIYBKCTVUQHIHNF-UHFFFAOYSA-N
MW576.60 g/mol
LogP3.47
Rot. Bonds8

About 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123329306) has the molecular formula C30H30F2N6O4 and a molecular weight of 576.60 g/mol. Its IUPAC name is 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123329306
Molecular FormulaC30H30F2N6O4
Molecular Weight576.60 g/mol
Exact Mass576.23
IUPAC Name7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1(C)COCCN1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(N)=O)c(F)c4)ccn23)c1
InChIInChI=1S/C30H30F2N6O4/c1-30(2)17-42-12-11-37(30)10-8-34-28(40)20-4-6-22(31)24(14-20)36-29(41)25-16-35-26-15-19(7-9-38(25)26)18-3-5-21(27(33)39)23(32)13-18/h3-7,9,13-16H,8,10-12,17H2,1-2H3,(H2,33,39)(H,34,40)(H,36,41)
InChIKeyIYBKCTVUQHIHNF-UHFFFAOYSA-N
XLogP3.47
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.60
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123329306) is 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is CC1(C)COCCN1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(N)=O)c(F)c4)ccn23)c1.
What is the InChIKey of 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IYBKCTVUQHIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O4/c1-30(2)17-42-12-11-37(30)10-8-34-28(40)20-4-6-22(31)24(14-20)36-29(41)25-16-35-26-15-19(7-9-38(25)26)18-3-5-21(27(33)39)23(32)13-18/h3-7,9,13-16H,8,10-12,17H2,1-2H3,(H2,33,39)(H,34,40)(H,36,41).
What are the key properties of 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 576.60 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbamoyl-3-fluorophenyl)-N-[5-[2-(3,3-dimethylmorpholin-4-yl)ethylcarbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123329306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).