N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C20H19FN4O3S — CID 134393628

IUPACN-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC1(COc2ccn(-c3ccc(C(=O)NS(=O)c4ccccc4)c(F)n3)n2)CC1
InChIInChI=1S/C20H19FN4O3S/c1-20(10-11-20)13-28-17-9-12-25(23-17)16-8-7-15(18(21)22-16)19(26)24-29(27)14-5-3-2-4-6-14/h2-9,12H,10-11,13H2,1H3,(H,24,26)
InChIKeyODAAHWIQLBPRMW-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.04
Rot. Bonds7

About N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134393628) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134393628
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC NameN-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC1(COc2ccn(-c3ccc(C(=O)NS(=O)c4ccccc4)c(F)n3)n2)CC1
InChIInChI=1S/C20H19FN4O3S/c1-20(10-11-20)13-28-17-9-12-25(23-17)16-8-7-15(18(21)22-16)19(26)24-29(27)14-5-3-2-4-6-14/h2-9,12H,10-11,13H2,1H3,(H,24,26)
InChIKeyODAAHWIQLBPRMW-UHFFFAOYSA-N
XLogP3.04
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(benzenesulfinyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134399597
2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 159694950
2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide
CID 159366215
2-fluoro-6-[(6-fluoro-2-pyridinyl)disulfanyl]pyridine;2-fluoro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;[2-fluoro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-3-pyridinyl]-[(6-fluoro-2-pyridinyl)sulfanylamino]methanol
CID 157172817
2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 142372549
2-chloro-N-(4-cyano-2-methylphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393490
N-(benzenesulfonyl)-6-[3-[[1-(2-fluoropropan-2-yl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166761913
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808
2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine
CID 139399973
2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-3-pyridinyl]sulfinyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139399787
N-(benzenesulfonyl)-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134393675
N-(2-fluorophenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 161422306

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134393628) is N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC1(COc2ccn(-c3ccc(C(=O)NS(=O)c4ccccc4)c(F)n3)n2)CC1.
What is the InChIKey of N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is ODAAHWIQLBPRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-20(10-11-20)13-28-17-9-12-25(23-17)16-8-7-15(18(21)22-16)19(26)24-29(27)14-5-3-2-4-6-14/h2-9,12H,10-11,13H2,1H3,(H,24,26).
What are the key properties of N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134393628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).