3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide

C23H23FN4O2 — CID 97407421

IUPAC3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide
SMILESCC(C)(CO)CNC(=O)c1cc(-c2ccn(-c3ccc(F)cc3)n2)n2ccccc12
InChIInChI=1S/C23H23FN4O2/c1-23(2,15-29)14-25-22(30)18-13-21(27-11-4-3-5-20(18)27)19-10-12-28(26-19)17-8-6-16(24)7-9-17/h3-13,29H,14-15H2,1-2H3,(H,25,30)
InChIKeyNSJPHIPRLSEHEU-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.68
Rot. Bonds6

About 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide

3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide (PubChem CID 97407421) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide
PubChem CID97407421
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide
SMILESCC(C)(CO)CNC(=O)c1cc(-c2ccn(-c3ccc(F)cc3)n2)n2ccccc12
InChIInChI=1S/C23H23FN4O2/c1-23(2,15-29)14-25-22(30)18-13-21(27-11-4-3-5-20(18)27)19-10-12-28(26-19)17-8-6-16(24)7-9-17/h3-13,29H,14-15H2,1-2H3,(H,25,30)
InChIKeyNSJPHIPRLSEHEU-UHFFFAOYSA-N
XLogP3.68
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155850650
3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869533
N-(cyclopropylmethyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
CID 97446716
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
[4-(dimethylamino)piperidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855131
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820667
3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
CID 97446740
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
CID 113294516
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
[3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 131650381
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 97446810
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide?
The IUPAC name of 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide (CID 97407421) is 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide is CC(C)(CO)CNC(=O)c1cc(-c2ccn(-c3ccc(F)cc3)n2)n2ccccc12.
What is the InChIKey of 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide?
The InChIKey is NSJPHIPRLSEHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-23(2,15-29)14-25-22(30)18-13-21(27-11-4-3-5-20(18)27)19-10-12-28(26-19)17-8-6-16(24)7-9-17/h3-13,29H,14-15H2,1-2H3,(H,25,30).
What are the key properties of 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide?
3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide is sourced from PubChem (CID 97407421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).