N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide

C27H26N4O2S — CID 73312181

IUPACN-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)nn(C3CCCCO3)c2c1
InChIInChI=1S/C27H26N4O2S/c1-28-27(32)22-9-2-3-10-25(22)34-20-13-14-21-23(15-12-19-8-4-6-16-29-19)30-31(24(21)18-20)26-11-5-7-17-33-26/h2-4,6,8-10,12-16,18,26H,5,7,11,17H2,1H3,(H,28,32)
InChIKeyICISLZFPVJBDJL-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.81
Rot. Bonds6

About N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide

N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide (PubChem CID 73312181) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide
PubChem CID73312181
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)nn(C3CCCCO3)c2c1
InChIInChI=1S/C27H26N4O2S/c1-28-27(32)22-9-2-3-10-25(22)34-20-13-14-21-23(15-12-19-8-4-6-16-29-19)30-31(24(21)18-20)26-11-5-7-17-33-26/h2-4,6,8-10,12-16,18,26H,5,7,11,17H2,1H3,(H,28,32)
InChIKeyICISLZFPVJBDJL-UHFFFAOYSA-N
XLogP5.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[1-(oxan-2-yl)-3-[(E)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethenyl]indazol-6-yl]sulfanylbenzamide
CID 175999699
2-[3-[(1E,3Z,5Z)-3-aminoocta-1,3,5,7-tetraenyl]-1-(oxan-2-yl)indazol-6-yl]sulfanyl-N-methylbenzamide
CID 89086517
ethyl 6-[2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylphenoxy]hexanoate
CID 91346938
ethyl 6-[2-[1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylanilino]-6-oxohexanoate
CID 162313499
N-[2-(methylamino)-2-oxoethyl]-6-[2-(methylcarbamoyl)phenyl]sulfanyl-N-propyl-3-[(E)-2-pyridin-2-ylethenyl]indazole-1-carboxamide
CID 154979395
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
6-nitro-1-[(2R)-oxan-2-yl]-3-[(E)-2-pyridin-2-ylethenyl]indazole
CID 86327965
[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 176838545
cyclopropyl (2S)-2-methyl-3-[[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]-naphthalen-1-yloxyphosphoryl]propanoate
CID 158249229
(2S)-3-methyl-2-[[2-[methyl-[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazole-1-carbonyl]amino]acetyl]amino]butanoic acid
CID 155427690
(2,3,4,5,6-pentafluorophenyl) 4-[[(2S)-1-[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazole-1-carbonyl]pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylate
CID 155424994
methyl (2S)-2-methyl-3-[[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]-naphthalen-1-yloxyphosphoryl]propanoate
CID 159473420

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide?
The IUPAC name of N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide (CID 73312181) is N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide.
What is the SMILES notation for N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide?
The canonical SMILES for N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide is CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)nn(C3CCCCO3)c2c1.
What is the InChIKey of N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide?
The InChIKey is ICISLZFPVJBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-28-27(32)22-9-2-3-10-25(22)34-20-13-14-21-23(15-12-19-8-4-6-16-29-19)30-31(24(21)18-20)26-11-5-7-17-33-26/h2-4,6,8-10,12-16,18,26H,5,7,11,17H2,1H3,(H,28,32).
What are the key properties of N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide?
N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide has a molecular weight of 470.60 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide is sourced from PubChem (CID 73312181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).