N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide

C23H19N5O3 — CID 162652603

IUPACN-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C23H19N5O3/c1-3-20(29)24-19-10-5-4-9-16(19)23(30)26-22-17-11-12-18(25-21(17)27-28-22)14-7-6-8-15(13-14)31-2/h3-13H,1H2,2H3,(H,24,29)(H2,25,26,27,28,30)
InChIKeyYJKPHARNBOEYOG-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.01
Rot. Bonds6

About N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162652603) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162652603
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C23H19N5O3/c1-3-20(29)24-19-10-5-4-9-16(19)23(30)26-22-17-11-12-18(25-21(17)27-28-22)14-7-6-8-15(13-14)31-2/h3-13H,1H2,2H3,(H,24,29)(H2,25,26,27,28,30)
InChIKeyYJKPHARNBOEYOG-UHFFFAOYSA-N
XLogP4.01
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765280
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
1-(3-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
CID 16195356
1-(4-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
CID 16195403
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936149
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54765203
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395100
N-[6-(3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 141462248
N-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162654484
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162658664

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162652603) is N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cccc(OC)c3)ccc12.
What is the InChIKey of N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is YJKPHARNBOEYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-3-20(29)24-19-10-5-4-9-16(19)23(30)26-22-17-11-12-18(25-21(17)27-28-22)14-7-6-8-15(13-14)31-2/h3-13H,1H2,2H3,(H,24,29)(H2,25,26,27,28,30).
What are the key properties of N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 413.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162652603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).