5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

C22H20F2N6O3S — CID 71598629

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)c1
InChIInChI=1S/C22H20F2N6O3S/c1-28-12-21(25-13-28)34(32,33)27-22(31)17-11-26-30-8-6-15(10-20(17)30)29-7-2-3-19(29)16-9-14(23)4-5-18(16)24/h4-6,8-13,19H,2-3,7H2,1H3,(H,27,31)/t19-/m1/s1
InChIKeyLJLWHYLIGBCCDO-LJQANCHMSA-N
MW486.50 g/mol
LogP2.81
Rot. Bonds5

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598629) has the molecular formula C22H20F2N6O3S and a molecular weight of 486.50 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598629
Molecular FormulaC22H20F2N6O3S
Molecular Weight486.50 g/mol
Exact Mass486.13
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)c1
InChIInChI=1S/C22H20F2N6O3S/c1-28-12-21(25-13-28)34(32,33)27-22(31)17-11-26-30-8-6-15(10-20(17)30)29-7-2-3-19(29)16-9-14(23)4-5-18(16)24/h4-6,8-13,19H,2-3,7H2,1H3,(H,27,31)/t19-/m1/s1
InChIKeyLJLWHYLIGBCCDO-LJQANCHMSA-N
XLogP2.81
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598629) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is Cn1cnc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)c1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LJLWHYLIGBCCDO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20F2N6O3S/c1-28-12-21(25-13-28)34(32,33)27-22(31)17-11-26-30-8-6-15(10-20(17)30)29-7-2-3-19(29)16-9-14(23)4-5-18(16)24/h4-6,8-13,19H,2-3,7H2,1H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1-methylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).