6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 162660020

IUPAC6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-28-19-8-3-2-7-15(19)18-13-16(17-14-23-25-20(17)24-18)21(27)22-9-6-12-26-10-4-5-11-26/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyZPTKZOACLUAFLU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.85
Rot. Bonds7

About 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 162660020) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID162660020
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-28-19-8-3-2-7-15(19)18-13-16(17-14-23-25-20(17)24-18)21(27)22-9-6-12-26-10-4-5-11-26/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyZPTKZOACLUAFLU-UHFFFAOYSA-N
XLogP2.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 162660020) is 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)c2cn[nH]c2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZPTKZOACLUAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-19-8-3-2-7-15(19)18-13-16(17-14-23-25-20(17)24-18)21(27)22-9-6-12-26-10-4-5-11-26/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 162660020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).