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

C21H25N5O2 — CID 162664120

IUPAC6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-15-5-2-3-6-16(15)19-13-17(18-14-23-25-20(18)24-19)21(27)22-7-4-8-26-9-11-28-12-10-26/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyNIPGXYJGRKOURQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.39
Rot. Bonds6

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

6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 162664120) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID162664120
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C21H25N5O2/c1-15-5-2-3-6-16(15)19-13-17(18-14-23-25-20(18)24-19)21(27)22-7-4-8-26-9-11-28-12-10-26/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyNIPGXYJGRKOURQ-UHFFFAOYSA-N
XLogP2.39
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.39
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

GSK-3|A inhibitor 13
CID 134551592
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
Jqez5
CID 121322599
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 18
CID 134551945
[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56669088
5-(2-Methoxyethyl)-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480562
[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
CID 138105934
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71455408

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 162664120) is 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2cn[nH]c2n1.
What is the InChIKey of 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NIPGXYJGRKOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-5-2-3-6-16(15)19-13-17(18-14-23-25-20(18)24-19)21(27)22-7-4-8-26-9-11-28-12-10-26/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 162664120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).