(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

C27H32FN5O3 — CID 142504305

IUPAC(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C27H32FN5O3/c1-26(2,36)17-6-8-18(9-7-17)27(12-4-3-5-13-27)25(35)33-16-19(28)14-22(33)24(34)31-23-11-10-20-21(30-23)15-29-32-20/h6-11,15,19,22,36H,3-5,12-14,16H2,1-2H3,(H,29,32)(H,30,31,34)/t19-,22-/m1/s1
InChIKeyGKZSXVYGOFTDRU-DENIHFKCSA-N
MW493.58 g/mol
LogP3.96
Rot. Bonds5

About (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide

(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142504305) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142504305
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1
InChIInChI=1S/C27H32FN5O3/c1-26(2,36)17-6-8-18(9-7-17)27(12-4-3-5-13-27)25(35)33-16-19(28)14-22(33)24(34)31-23-11-10-20-21(30-23)15-29-32-20/h6-11,15,19,22,36H,3-5,12-14,16H2,1-2H3,(H,29,32)(H,30,31,34)/t19-,22-/m1/s1
InChIKeyGKZSXVYGOFTDRU-DENIHFKCSA-N
XLogP3.96
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142504305) is (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is CC(C)(O)c1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.
What is the InChIKey of (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is GKZSXVYGOFTDRU-DENIHFKCSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-26(2,36)17-6-8-18(9-7-17)27(12-4-3-5-13-27)25(35)33-16-19(28)14-22(33)24(34)31-23-11-10-20-21(30-23)15-29-32-20/h6-11,15,19,22,36H,3-5,12-14,16H2,1-2H3,(H,29,32)(H,30,31,34)/t19-,22-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).