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

C22H24FN5O3 — CID 142504016

IUPAC(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2C[C@H](F)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3n2)cc1
InChIInChI=1S/C22H24FN5O3/c1-22(2,13-4-6-15(31-3)7-5-13)21(30)28-12-14(23)10-18(28)20(29)26-19-9-8-16-17(25-19)11-24-27-16/h4-9,11,14,18H,10,12H2,1-3H3,(H,24,27)(H,25,26,29)/t14-,18-/m1/s1
InChIKeyQGUMABWCEIISFK-RDTXWAMCSA-N
MW425.46 g/mol
LogP2.82
Rot. Bonds5

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

(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142504016) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142504016
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)(C)C(=O)N2C[C@H](F)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3n2)cc1
InChIInChI=1S/C22H24FN5O3/c1-22(2,13-4-6-15(31-3)7-5-13)21(30)28-12-14(23)10-18(28)20(29)26-19-9-8-16-17(25-19)11-24-27-16/h4-9,11,14,18H,10,12H2,1-3H3,(H,24,27)(H,25,26,29)/t14-,18-/m1/s1
InChIKeyQGUMABWCEIISFK-RDTXWAMCSA-N
XLogP2.82
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142504016) is (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is COc1ccc(C(C)(C)C(=O)N2C[C@H](F)C[C@@H]2C(=O)Nc2ccc3[nH]ncc3n2)cc1.
What is the InChIKey of (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is QGUMABWCEIISFK-RDTXWAMCSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-22(2,13-4-6-15(31-3)7-5-13)21(30)28-12-14(23)10-18(28)20(29)26-19-9-8-16-17(25-19)11-24-27-16/h4-9,11,14,18H,10,12H2,1-3H3,(H,24,27)(H,25,26,29)/t14-,18-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).