N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C24H31N7O3S — CID 121251451

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1
InChIInChI=1S/C24H31N7O3S/c1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t16-/m0/s1
InChIKeyUJBIDDMLMBUPOR-INIZCTEOSA-N
MW497.63 g/mol
LogP3.25
Rot. Bonds6

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251451) has the molecular formula C24H31N7O3S and a molecular weight of 497.63 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251451
Molecular FormulaC24H31N7O3S
Molecular Weight497.63 g/mol
Exact Mass497.22
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1
InChIInChI=1S/C24H31N7O3S/c1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t16-/m0/s1
InChIKeyUJBIDDMLMBUPOR-INIZCTEOSA-N
XLogP3.25
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

(14S)-8-[3-[3,3-dimethylbutyl(dimethyl)silyl]pyrazol-1-yl]-12,12-dimethyl-2,2-dioxo-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
CID 156623748
2-[5-methyl-4-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049774
3-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 3906586
4-(dimethylsulfamoyl)-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 4570071
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide
CID 58081288
US11377438, Example 94
CID 146525828
Preparation of (14S)-12,12-dimethyl-8-(3-{3-[1-(trifluoromethyl)cyclopropyl]-3,3-dideuterio-propoxy}-1H-pyrazol-1-yl)-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaene-2,2,4-trione
CID 171034259
Preparation of 4-[3-(4,4-dimethylpentyl)-2-oxoimidazolidin-1-yl]-20,20-dimethyl-10lambda6-thia-1,3,9,14,22-pentaazatetracyclo[16.2.1.111,14.02,7]docosa-2,4,6,11(22),12-pentaene-8,10,10-trione
CID 139400200
Preparation of 4-[3-(3,3-dimethylbutyl)-2-oxopyrrolidin-1-yl]-20,20-dimethyl-10lambda6-thia-1,3,9,14,22-pentaazatetracyclo[16.2.1.111,14.02,7]docosa-2,4,6,11(22),12-pentaene-8,10,10-trione
CID 139400197
6-bromo-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 138682435
4-cyclopropyl-1-methyl-N-[1-(4-methyl-2-pyridinyl)pyrazol-4-yl]sulfonylpyrazole-5-carboxamide
CID 132397669
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide
CID 134158193

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251451) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)n1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UJBIDDMLMBUPOR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H31N7O3S/c1-15(2)31-14-17(12-27-31)19-9-8-18(22(28-19)30-13-16(3)11-24(30,4)5)23(32)29-35(33,34)20-7-6-10-26-21(20)25/h6-10,12,14-16H,11,13H2,1-5H3,(H2,25,26)(H,29,32)/t16-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 497.63 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).