1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone

C30H25FN4O2 — CID 147608549

IUPAC1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
SMILESCOc1ccccc1-c1cc2n(n1)C(c1ccc(F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2
InChIInChI=1S/C30H25FN4O2/c1-18-13-23-16-26(24-5-3-4-6-28(24)37-2)34-35(23)30(20-8-10-22(31)11-9-20)29(18)27(36)15-19-7-12-25-21(14-19)17-32-33-25/h3-12,14,16-17,30H,13,15H2,1-2H3,(H,32,33)
InChIKeyGBNUCOCHHBDQDA-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.85
Rot. Bonds6

About 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone

1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone (PubChem CID 147608549) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
PubChem CID147608549
Molecular FormulaC30H25FN4O2
Molecular Weight492.55 g/mol
Exact Mass492.20
IUPAC Name1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
SMILESCOc1ccccc1-c1cc2n(n1)C(c1ccc(F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2
InChIInChI=1S/C30H25FN4O2/c1-18-13-23-16-26(24-5-3-4-6-28(24)37-2)34-35(23)30(20-8-10-22(31)11-9-20)29(18)27(36)15-19-7-12-25-21(14-19)17-32-33-25/h3-12,14,16-17,30H,13,15H2,1-2H3,(H,32,33)
InChIKeyGBNUCOCHHBDQDA-UHFFFAOYSA-N
XLogP5.85
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-fluoro-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888912
4-[4-fluoro-3-[1-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888914
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 56591398
N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970759
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970760
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884798
N-[(1R,5S)-3-[(2-fluoro-6-methoxyphenyl)methyl]-5-(trifluoromethyl)cyclohexyl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970824
N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970861
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970862
3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
CID 170995115
N-[(E)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-1-ethyl-2-methylindazol-2-ium-5-carboxamide
CID 9687773
4-[4-(difluoromethoxy)phenyl]-3-ethyl-6-(2-methylindazol-5-yl)-2H-pyrazolo[4,3-b]pyridin-5-one
CID 177646801

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The IUPAC name of 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone (CID 147608549) is 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone.
What is the SMILES notation for 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The canonical SMILES for 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone is COc1ccccc1-c1cc2n(n1)C(c1ccc(F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2.
What is the InChIKey of 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The InChIKey is GBNUCOCHHBDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c1-18-13-23-16-26(24-5-3-4-6-28(24)37-2)34-35(23)30(20-8-10-22(31)11-9-20)29(18)27(36)15-19-7-12-25-21(14-19)17-32-33-25/h3-12,14,16-17,30H,13,15H2,1-2H3,(H,32,33).
What are the key properties of 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone has a molecular weight of 492.55 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-fluorophenyl)-2-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone is sourced from PubChem (CID 147608549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).