N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide

C25H23N5O — CID 69353118

IUPACN-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
SMILESO=C(NC1CCC1)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H23N5O/c31-25(28-18-7-5-8-18)21-9-1-2-10-22(21)27-19-11-13-20-23(29-30-24(20)16-19)14-12-17-6-3-4-15-26-17/h1-4,6,9-16,18,27H,5,7-8H2,(H,28,31)(H,29,30)
InChIKeyHPTXSXBTSFGKJG-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.15
Rot. Bonds6

About N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide

N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide (PubChem CID 69353118) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
PubChem CID69353118
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
SMILESO=C(NC1CCC1)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H23N5O/c31-25(28-18-7-5-8-18)21-9-1-2-10-22(21)27-19-11-13-20-23(29-30-24(20)16-19)14-12-17-6-3-4-15-26-17/h1-4,6,9-16,18,27H,5,7-8H2,(H,28,31)(H,29,30)
InChIKeyHPTXSXBTSFGKJG-UHFFFAOYSA-N
XLogP5.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 134139398
N-(1,3-dihydroxypropan-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134136143
N-(2-amino-2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134158044
N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
CID 134139530
N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134131728
N-[(2-methylphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134137452
N-[2-(4-aminophenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134138951
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134140703
N-cyclopropyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 22978308
N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134134475
2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 10253717
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 54765950

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide (CID 69353118) is N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide is O=C(NC1CCC1)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1.
What is the InChIKey of N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide?
The InChIKey is HPTXSXBTSFGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(28-18-7-5-8-18)21-9-1-2-10-22(21)27-19-11-13-20-23(29-30-24(20)16-19)14-12-17-6-3-4-15-26-17/h1-4,6,9-16,18,27H,5,7-8H2,(H,28,31)(H,29,30).
What are the key properties of N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide?
N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 69353118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).