N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C22H18FN5O3 — CID 66917082

IUPACN-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESNC(=O)CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H18FN5O3/c23-14-5-7-15(8-6-14)28-19-3-1-2-16(17(19)12-26-28)22(31)27-18(10-20(24)29)13-4-9-21(30)25-11-13/h1-9,11-12,18H,10H2,(H2,24,29)(H,25,30)(H,27,31)
InChIKeyIQYVIDULPLJVBF-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.20
Rot. Bonds6

About N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 66917082) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID66917082
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC NameN-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESNC(=O)CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H18FN5O3/c23-14-5-7-15(8-6-14)28-19-3-1-2-16(17(19)12-26-28)22(31)27-18(10-20(24)29)13-4-9-21(30)25-11-13/h1-9,11-12,18H,10H2,(H2,24,29)(H,25,30)(H,27,31)
InChIKeyIQYVIDULPLJVBF-UHFFFAOYSA-N
XLogP2.20
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
CID 143887698
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
N-[amino-[6-(2-methylpropanoyl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159075828
N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55879747
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063
1-(4-fluorophenyl)-N-[1-[2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278393
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 66917082) is N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide is NC(=O)CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is IQYVIDULPLJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c23-14-5-7-15(8-6-14)28-19-3-1-2-16(17(19)12-26-28)22(31)27-18(10-20(24)29)13-4-9-21(30)25-11-13/h1-9,11-12,18H,10H2,(H2,24,29)(H,25,30)(H,27,31).
What are the key properties of N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 66917082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).