N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C29H33N5O — CID 55492047

IUPACN-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C29H33N5O/c1-20(2)34-28-25(18-30-34)24(17-26(31-28)23-13-7-5-11-21(23)3)29(35)32(4)19-22-12-6-8-14-27(22)33-15-9-10-16-33/h5-8,11-14,17-18,20H,9-10,15-16,19H2,1-4H3
InChIKeyDXGPRVBEPRBCEG-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.86
Rot. Bonds6

About N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55492047) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55492047
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C29H33N5O/c1-20(2)34-28-25(18-30-34)24(17-26(31-28)23-13-7-5-11-21(23)3)29(35)32(4)19-22-12-6-8-14-27(22)33-15-9-10-16-33/h5-8,11-14,17-18,20H,9-10,15-16,19H2,1-4H3
InChIKeyDXGPRVBEPRBCEG-UHFFFAOYSA-N
XLogP5.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
6-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78791765
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 46559622
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylfuran-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18283947
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 17419738
(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 78835832
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
N-(3,4-difluorophenyl)-N-ethyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55592560
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55492047) is N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DXGPRVBEPRBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-20(2)34-28-25(18-30-34)24(17-26(31-28)23-13-7-5-11-21(23)3)29(35)32(4)19-22-12-6-8-14-27(22)33-15-9-10-16-33/h5-8,11-14,17-18,20H,9-10,15-16,19H2,1-4H3.
What are the key properties of N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55492047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).