N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

C24H20N4O3 — CID 162660618

IUPACN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyWVNLRNRDQZGYRV-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.62
Rot. Bonds6

About N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162660618) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162660618
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyWVNLRNRDQZGYRV-UHFFFAOYSA-N
XLogP4.62
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-(furan-3-yl)-1H-indazol-3-yl)butyramide
CID 9993220
N-(6-(3-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319573
4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 91827382
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 139554482
N-[6-(furan-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539609
N-[6-(furan-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539610
4-(4-Ethylpiperazin-1-Yl)-N-[6-(3-Methoxyphenyl)-2h-Indazol-3-Yl]benzamide
CID 91801169
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137652911
Fgfr2-IN-1
CID 157049296
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
N-(5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848030

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162660618) is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12.
What is the InChIKey of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is WVNLRNRDQZGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162660618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).