N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H24FN5O3S — CID 71598814

IUPACN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)cc12
InChIInChI=1S/C21H24FN5O3S/c1-21(2,3)31(29,30)25-20(28)17-13-24-27-8-6-16(10-19(17)27)26-7-4-5-18(26)14-9-15(22)12-23-11-14/h6,8-13,18H,4-5,7H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyDPQGSCNJJPFAJI-GOSISDBHSA-N
MW445.52 g/mol
LogP3.07
Rot. Bonds4

About N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598814) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598814
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)cc12
InChIInChI=1S/C21H24FN5O3S/c1-21(2,3)31(29,30)25-20(28)17-13-24-27-8-6-16(10-19(17)27)26-7-4-5-18(26)14-9-15(22)12-23-11-14/h6,8-13,18H,4-5,7H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyDPQGSCNJJPFAJI-GOSISDBHSA-N
XLogP3.07
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
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
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283371
[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549381
6-(1-(2-cyanoethyl)-1H-pyrazol-4-yl)-4-(((3R,4R)-3-ethyl-1-(methylsulfonyl)piperidin-4-yl)amino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68290784
4-[[(3S,4S)-1-(2-cyanoacetyl)-4-methylpyrrolidin-3-yl]amino]-6-(2-fluoro-4-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937374
4-[[(3S,4S)-4-ethyl-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937378
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-(((1r,3R)-3-(methylsulfonamido-methyl)cyclobutyl) amino)nicotinamide
CID 138703728
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-(((R)-1-(methylsulfonyl)pyrrolidin-3-yl)amino)nicotinamide
CID 138703920
6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704022

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598814) is N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DPQGSCNJJPFAJI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-21(2,3)31(29,30)25-20(28)17-13-24-27-8-6-16(10-19(17)27)26-7-4-5-18(26)14-9-15(22)12-23-11-14/h6,8-13,18H,4-5,7H2,1-3H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).