N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide

C24H22N4OS — CID 175129584

IUPACN-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C24H22N4OS/c1-17-5-4-7-19(15-17)26-24(29)12-14-30-20-9-10-21-22(27-28-23(21)16-20)11-8-18-6-2-3-13-25-18/h2-11,13,15-16H,12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyIBCZQCDMSLACIB-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.56
Rot. Bonds7

About N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide

N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide (PubChem CID 175129584) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
PubChem CID175129584
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c1
InChIInChI=1S/C24H22N4OS/c1-17-5-4-7-19(15-17)26-24(29)12-14-30-20-9-10-21-22(27-28-23(21)16-20)11-8-18-6-2-3-13-25-18/h2-11,13,15-16H,12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyIBCZQCDMSLACIB-UHFFFAOYSA-N
XLogP5.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
CID 155514174
3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-[4-(pyrrol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propanamide
CID 175130240
2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
CID 172560802
N-(4-methylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134152183
N'-hydroxy-N-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]octanediamide
CID 25225083
8-oxo-8-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]anilino]octanoic acid
CID 68894241
N-(3-hydroxyphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134144265
methyl 7-oxo-7-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]anilino]heptanoate
CID 162325055
N-[3-(methylcarbamoyl)phenyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134146122
N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propyl]furan-2-carboxamide
CID 175136203
N-(2,6-diethylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134131702
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide (CID 175129584) is N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide is Cc1cccc(NC(=O)CCSc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide?
The InChIKey is IBCZQCDMSLACIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-17-5-4-7-19(15-17)26-24(29)12-14-30-20-9-10-21-22(27-28-23(21)16-20)11-8-18-6-2-3-13-25-18/h2-11,13,15-16H,12,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide?
N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide is sourced from PubChem (CID 175129584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).