3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide

C25H25FN6O3 — CID 134328472

IUPAC3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(=O)N(C)C
InChIInChI=1S/C25H25FN6O3/c1-14-7-20(26)18(24(33)29-16-5-6-16)8-17(14)15-10-28-32(12-15)23-11-27-22-9-21(35-4)19(13-31(22)23)25(34)30(2)3/h7-13,16H,5-6H2,1-4H3,(H,29,33)
InChIKeyCAVKPOHDRTVYCJ-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.24
Rot. Bonds6

About 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide

3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134328472) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID134328472
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(=O)N(C)C
InChIInChI=1S/C25H25FN6O3/c1-14-7-20(26)18(24(33)29-16-5-6-16)8-17(14)15-10-28-32(12-15)23-11-27-22-9-21(35-4)19(13-31(22)23)25(34)30(2)3/h7-13,16H,5-6H2,1-4H3,(H,29,33)
InChIKeyCAVKPOHDRTVYCJ-UHFFFAOYSA-N
XLogP3.24
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide (CID 134328472) is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C(=O)N(C)C.
What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CAVKPOHDRTVYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-14-7-20(26)18(24(33)29-16-5-6-16)8-17(14)15-10-28-32(12-15)23-11-27-22-9-21(35-4)19(13-31(22)23)25(34)30(2)3/h7-13,16H,5-6H2,1-4H3,(H,29,33).
What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134328472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).