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

C24H26FN5O3 — CID 142503983

IUPAC(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C24H26FN5O3/c25-16-12-20(22(32)28-21-9-8-18-19(27-21)13-26-29-18)30(14-16)23(33)24(10-2-1-3-11-24)15-4-6-17(31)7-5-15/h4-9,13,16,20,31H,1-3,10-12,14H2,(H,26,29)(H,27,28,32)/t16-,20-/m1/s1
InChIKeyPBMHJCCMASLPPP-OXQOHEQNSA-N
MW451.50 g/mol
LogP3.44
Rot. Bonds4

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

(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142503983) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142503983
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C24H26FN5O3/c25-16-12-20(22(32)28-21-9-8-18-19(27-21)13-26-29-18)30(14-16)23(33)24(10-2-1-3-11-24)15-4-6-17(31)7-5-15/h4-9,13,16,20,31H,1-3,10-12,14H2,(H,26,29)(H,27,28,32)/t16-,20-/m1/s1
InChIKeyPBMHJCCMASLPPP-OXQOHEQNSA-N
XLogP3.44
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142503983) is (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)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-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(O)cc2)CCCCC1.
What is the InChIKey of (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is PBMHJCCMASLPPP-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-16-12-20(22(32)28-21-9-8-18-19(27-21)13-26-29-18)30(14-16)23(33)24(10-2-1-3-11-24)15-4-6-17(31)7-5-15/h4-9,13,16,20,31H,1-3,10-12,14H2,(H,26,29)(H,27,28,32)/t16-,20-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.44, 4 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-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142503983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).