2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H23F2N5O3S — CID 140661533

IUPAC2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O
InChIInChI=1S/C21H23F2N5O3S/c1-3-26(2)32(30,31)21-17(20(24)29)19-18(23)16(9-11-28(19)25-21)27-10-5-8-15(27)13-6-4-7-14(22)12-13/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H2,24,29)
InChIKeyBINBACQZIXWGCF-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.69
Rot. Bonds6

About 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140661533) has the molecular formula C21H23F2N5O3S and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID140661533
Molecular FormulaC21H23F2N5O3S
Molecular Weight463.51 g/mol
Exact Mass463.15
IUPAC Name2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O
InChIInChI=1S/C21H23F2N5O3S/c1-3-26(2)32(30,31)21-17(20(24)29)19-18(23)16(9-11-28(19)25-21)27-10-5-8-15(27)13-6-4-7-14(22)12-13/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H2,24,29)
InChIKeyBINBACQZIXWGCF-UHFFFAOYSA-N
XLogP2.69
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N,10-dimethyl-14-methylsulfonyl-3,4,14-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-6-carboxamide
CID 68063058
4-[[(3S,4S)-4-(fluoromethyl)-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937390
(7S)-N-[(1-ethylsulfonylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282410
2-[1-[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-3-yl]-N-ethylacetamide
CID 126642384
3-Fluoro-2-[4-(3-methylsulfonylpyrazol-1-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642442
2-(2,6-Difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 126642490
US11414384, Example 101 Isomer 1
CID 139422800
US11414384, Example 101 Isomer 2
CID 156114838
(4-((2-Fluorophenyl)sulfonyl)piperazin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 71797921
N,N-dibutyl-3-{[(4-fluorophenyl)sulfonyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-g]indolizine-8-carboxamide
CID 129732286
4-(N,N-dimethylsulfamoyl)-N-(pyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 86266843
N-[1-(3-fluorobenzyl)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 56898807

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140661533) is 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O.
What is the InChIKey of 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BINBACQZIXWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O3S/c1-3-26(2)32(30,31)21-17(20(24)29)19-18(23)16(9-11-28(19)25-21)27-10-5-8-15(27)13-6-4-7-14(22)12-13/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H2,24,29).
What are the key properties of 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)sulfamoyl]-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140661533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).