N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C28H28N6O2 — CID 108730127

IUPACN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc12
InChIInChI=1S/C28H28N6O2/c1-19-25-16-21(17-29-27(25)34(31-19)24-7-3-2-4-8-24)30-28(36)20-15-26(35)33(18-20)23-11-9-22(10-12-23)32-13-5-6-14-32/h2-4,7-12,16-17,20H,5-6,13-15,18H2,1H3,(H,30,36)
InChIKeyYQKXMKXCWDBTOQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.32
Rot. Bonds5

About N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 108730127) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID108730127
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc12
InChIInChI=1S/C28H28N6O2/c1-19-25-16-21(17-29-27(25)34(31-19)24-7-3-2-4-8-24)30-28(36)20-15-26(35)33(18-20)23-11-9-22(10-12-23)32-13-5-6-14-32/h2-4,7-12,16-17,20H,5-6,13-15,18H2,1H3,(H,30,36)
InChIKeyYQKXMKXCWDBTOQ-UHFFFAOYSA-N
XLogP4.32
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108753799
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
N-(3-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791012
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51334513
(2R,5R)-5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)oxolane-2-carboxamide
CID 136587864
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 108730127) is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(=O)N(c4ccc(N5CCCC5)cc4)C3)cc12.
What is the InChIKey of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YQKXMKXCWDBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-19-25-16-21(17-29-27(25)34(31-19)24-7-3-2-4-8-24)30-28(36)20-15-26(35)33(18-20)23-11-9-22(10-12-23)32-13-5-6-14-32/h2-4,7-12,16-17,20H,5-6,13-15,18H2,1H3,(H,30,36).
What are the key properties of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).