(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29N5O3 — CID 95568106

IUPAC(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H29N5O3/c1-5-6-11-29-21(30)13-20(22(29)16-7-9-18(32-4)10-8-16)24(31)26-17-12-19-15(2)27-28(3)23(19)25-14-17/h7-10,12,14,20,22H,5-6,11,13H2,1-4H3,(H,26,31)/t20-,22+/m1/s1
InChIKeyZJGFJJRUBCKMMC-IRLDBZIGSA-N
MW435.53 g/mol
LogP3.61
Rot. Bonds7

About (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95568106) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95568106
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H29N5O3/c1-5-6-11-29-21(30)13-20(22(29)16-7-9-18(32-4)10-8-16)24(31)26-17-12-19-15(2)27-28(3)23(19)25-14-17/h7-10,12,14,20,22H,5-6,11,13H2,1-4H3,(H,26,31)/t20-,22+/m1/s1
InChIKeyZJGFJJRUBCKMMC-IRLDBZIGSA-N
XLogP3.61
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 46401528
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 30864249
N-(4-acetamido-3-chlorophenyl)-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24646739
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 95568106) is (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZJGFJJRUBCKMMC-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-5-6-11-29-21(30)13-20(22(29)16-7-9-18(32-4)10-8-16)24(31)26-17-12-19-15(2)27-28(3)23(19)25-14-17/h7-10,12,14,20,22H,5-6,11,13H2,1-4H3,(H,26,31)/t20-,22+/m1/s1.
What are the key properties of (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95568106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).