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

C24H26FN5O4 — CID 142504245

IUPAC(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCOCC2)cc1
InChIInChI=1S/C24H26FN5O4/c1-33-17-4-2-15(3-5-17)24(8-10-34-11-9-24)23(32)30-14-16(25)12-20(30)22(31)28-21-7-6-18-19(27-21)13-26-29-18/h2-7,13,16,20H,8-12,14H2,1H3,(H,26,29)(H,27,28,31)/t16-,20-/m1/s1
InChIKeyZDMYCCVVLNPSHC-OXQOHEQNSA-N
MW467.50 g/mol
LogP2.59
Rot. Bonds5

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

(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 142504245) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
PubChem CID142504245
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCOCC2)cc1
InChIInChI=1S/C24H26FN5O4/c1-33-17-4-2-15(3-5-17)24(8-10-34-11-9-24)23(32)30-14-16(25)12-20(30)22(31)28-21-7-6-18-19(27-21)13-26-29-18/h2-7,13,16,20H,8-12,14H2,1H3,(H,26,29)(H,27,28,31)/t16-,20-/m1/s1
InChIKeyZDMYCCVVLNPSHC-OXQOHEQNSA-N
XLogP2.59
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide (CID 142504245) is (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCOCC2)cc1.
What is the InChIKey of (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZDMYCCVVLNPSHC-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-33-17-4-2-15(3-5-17)24(8-10-34-11-9-24)23(32)30-14-16(25)12-20(30)22(31)28-21-7-6-18-19(27-21)13-26-29-18/h2-7,13,16,20H,8-12,14H2,1H3,(H,26,29)(H,27,28,31)/t16-,20-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142504245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).