methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

C20H16FN5O3 — CID 142305822

IUPACmethyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cc(-c4cc(C(N)=O)c(F)cc4C)cn3)n2c1
InChIInChI=1S/C20H16FN5O3/c1-11-5-16(21)15(19(22)27)6-14(11)13-7-24-26(10-13)18-8-23-17-4-3-12(9-25(17)18)20(28)29-2/h3-10H,1-2H3,(H2,22,27)
InChIKeyXVZRSMXPJNVBNK-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.52
Rot. Bonds4

About methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 142305822) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID142305822
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Namemethyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-n3cc(-c4cc(C(N)=O)c(F)cc4C)cn3)n2c1
InChIInChI=1S/C20H16FN5O3/c1-11-5-16(21)15(19(22)27)6-14(11)13-7-24-26(10-13)18-8-23-17-4-3-12(9-25(17)18)20(28)29-2/h3-10H,1-2H3,(H2,22,27)
InChIKeyXVZRSMXPJNVBNK-UHFFFAOYSA-N
XLogP2.52
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
N-[6-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408591
5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
CID 15187690
methyl 5-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
CID 15187692
methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
CID 44330993
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164609687
N,N-dimethyl-6-[[methyl-[5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164623985
5-[4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164628979
Zolpidem 6-Carboxylic Acid Methyl Ester
CID 16088234
Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525521
Methyl 4-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525614

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 142305822) is methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(-n3cc(-c4cc(C(N)=O)c(F)cc4C)cn3)n2c1.
What is the InChIKey of methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XVZRSMXPJNVBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-11-5-16(21)15(19(22)27)6-14(11)13-7-24-26(10-13)18-8-23-17-4-3-12(9-25(17)18)20(28)29-2/h3-10H,1-2H3,(H2,22,27).
What are the key properties of methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 393.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(5-carbamoyl-4-fluoro-2-methylphenyl)pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 142305822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).