2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C24H28FN5O4S — CID 121251096

IUPAC2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3[C@H](C)CC[C@@H]3C)n2)c1
InChIInChI=1S/C24H28FN5O4S/c1-14(2)34-19-12-17(11-18(25)13-19)21-8-7-20(23(27-21)30-15(3)5-6-16(30)4)24(31)29-35(32,33)22-9-10-26-28-22/h7-16H,5-6H2,1-4H3,(H,26,28)(H,29,31)/t15-,16+
InChIKeyJCHOOFYVDNRPIC-IYBDPMFKSA-N
MW501.58 g/mol
LogP3.89
Rot. Bonds7

About 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 121251096) has the molecular formula C24H28FN5O4S and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
PubChem CID121251096
Molecular FormulaC24H28FN5O4S
Molecular Weight501.58 g/mol
Exact Mass501.18
IUPAC Name2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3[C@H](C)CC[C@@H]3C)n2)c1
InChIInChI=1S/C24H28FN5O4S/c1-14(2)34-19-12-17(11-18(25)13-19)21-8-7-20(23(27-21)30-15(3)5-6-16(30)4)24(31)29-35(32,33)22-9-10-26-28-22/h7-16H,5-6H2,1-4H3,(H,26,28)(H,29,31)/t15-,16+
InChIKeyJCHOOFYVDNRPIC-IYBDPMFKSA-N
XLogP3.89
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 121251096) is 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is CC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3[C@H](C)CC[C@@H]3C)n2)c1.
What is the InChIKey of 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The InChIKey is JCHOOFYVDNRPIC-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H28FN5O4S/c1-14(2)34-19-12-17(11-18(25)13-19)21-8-7-20(23(27-21)30-15(3)5-6-16(30)4)24(31)29-35(32,33)22-9-10-26-28-22/h7-16H,5-6H2,1-4H3,(H,26,28)(H,29,31)/t15-,16+.
What are the key properties of 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(3-fluoro-5-propan-2-yloxyphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 121251096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).