1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C20H23N5O2 — CID 136902519

IUPAC1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H23N5O2/c1-13(14-6-5-7-15(10-14)25-8-3-4-9-25)23-20(27)17-11-21-19-16(18(17)26)12-22-24(19)2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,21,26)(H,23,27)/t13-/m0/s1
InChIKeyGZBGSZWETVKGII-ZDUSSCGKSA-N
MW365.44 g/mol
LogP2.35
Rot. Bonds4

About 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 136902519) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID136902519
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C20H23N5O2/c1-13(14-6-5-7-15(10-14)25-8-3-4-9-25)23-20(27)17-11-21-19-16(18(17)26)12-22-24(19)2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,21,26)(H,23,27)/t13-/m0/s1
InChIKeyGZBGSZWETVKGII-ZDUSSCGKSA-N
XLogP2.35
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
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CID 119947462
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
1,6-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823350
1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854349
N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136875010
4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 166253184
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
1-(1-propan-2-ylpyrazol-4-yl)-3-[1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 71856059
(2S)-2-(dimethylamino)-2-(3-methylimidazol-4-yl)-N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 125140689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 136902519) is 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is C[C@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GZBGSZWETVKGII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(14-6-5-7-15(10-14)25-8-3-4-9-25)23-20(27)17-11-21-19-16(18(17)26)12-22-24(19)2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,21,26)(H,23,27)/t13-/m0/s1.
What are the key properties of 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 136902519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).