1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone

C23H18BrFN4O — CID 159173384

IUPAC1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)n2ncc(Br)c2C1
InChIInChI=1S/C23H18BrFN4O/c1-13-8-20-18(24)12-27-29(20)23(15-3-5-17(25)6-4-15)22(13)21(30)10-14-2-7-19-16(9-14)11-26-28-19/h2-7,9,11-12,23H,8,10H2,1H3,(H,26,28)
InChIKeyKLYXEWMLKMVXDY-UHFFFAOYSA-N
MW465.33 g/mol
LogP4.93
Rot. Bonds4

About 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone

1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone (PubChem CID 159173384) has the molecular formula C23H18BrFN4O and a molecular weight of 465.33 g/mol. Its IUPAC name is 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
PubChem CID159173384
Molecular FormulaC23H18BrFN4O
Molecular Weight465.33 g/mol
Exact Mass464.06
IUPAC Name1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone
SMILESCC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)n2ncc(Br)c2C1
InChIInChI=1S/C23H18BrFN4O/c1-13-8-20-18(24)12-27-29(20)23(15-3-5-17(25)6-4-15)22(13)21(30)10-14-2-7-19-16(9-14)11-26-28-19/h2-7,9,11-12,23H,8,10H2,1H3,(H,26,28)
InChIKeyKLYXEWMLKMVXDY-UHFFFAOYSA-N
XLogP4.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-Indazol-3-yl)(2-{[(1H-indazol-5-yl)methyl]amino}phenyl)methanone
CID 44577740
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 118959844
N-methyl-3-[(1-methylindazol-5-yl)methyl]-2H-indazole-5-carboxamide
CID 118960212
(3,3-difluoropyrrolidin-1-yl)-[3-[(1-methylindazol-5-yl)methyl]-2H-indazol-5-yl]methanone
CID 127031446
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 139431420
6-fluoro-N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431403
N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431460
N-(4,4-difluorocyclohexyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431469
N-(4,4-difluorocyclohexyl)-5-(1,5-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431485
N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431518
N-[(1R,2R)-2-fluorocyclohexyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431519
N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431540

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The IUPAC name of 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone (CID 159173384) is 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone.
What is the SMILES notation for 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The canonical SMILES for 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone is CC1=C(C(=O)Cc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)n2ncc(Br)c2C1.
What is the InChIKey of 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
The InChIKey is KLYXEWMLKMVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN4O/c1-13-8-20-18(24)12-27-29(20)23(15-3-5-17(25)6-4-15)22(13)21(30)10-14-2-7-19-16(9-14)11-26-28-19/h2-7,9,11-12,23H,8,10H2,1H3,(H,26,28).
What are the key properties of 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone?
1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone has a molecular weight of 465.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-7-(4-fluorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyridin-6-yl]-2-(1H-indazol-5-yl)ethanone is sourced from PubChem (CID 159173384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).