3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide

C21H18N6O — CID 164587242

IUPAC3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
SMILESCc1ccc(C#N)c(C)c1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H18N6O/c1-13-4-5-15(9-22)14(2)20(13)21(28)25-17-7-6-16-10-24-27(19(16)8-17)18-11-23-26(3)12-18/h4-8,10-12H,1-3H3,(H,25,28)
InChIKeyKHBROJLXDSUFLB-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.50
Rot. Bonds3

About 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide

3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide (PubChem CID 164587242) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide.

Molecular Properties

Compound Name3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
PubChem CID164587242
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
SMILESCc1ccc(C#N)c(C)c1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1
InChIInChI=1S/C21H18N6O/c1-13-4-5-15(9-22)14(2)20(13)21(28)25-17-7-6-16-10-24-27(19(16)8-17)18-11-23-26(3)12-18/h4-8,10-12H,1-3H3,(H,25,28)
InChIKeyKHBROJLXDSUFLB-UHFFFAOYSA-N
XLogP3.50
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 175755920
(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586702
3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
CID 164587334
[[2-amino-5-[(3-cyano-2,6-dimethylbenzoyl)amino]phenyl]-[1-(difluoromethyl)pyrazol-4-yl]methylidene]azanium
CID 155575003
(5S)-5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-methyl-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164586997
3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 164586856
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
CID 110485992

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide?
The IUPAC name of 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide (CID 164587242) is 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide.
What is the SMILES notation for 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide?
The canonical SMILES for 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide is Cc1ccc(C#N)c(C)c1C(=O)Nc1ccc2cnn(-c3cnn(C)c3)c2c1.
What is the InChIKey of 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide?
The InChIKey is KHBROJLXDSUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-13-4-5-15(9-22)14(2)20(13)21(28)25-17-7-6-16-10-24-27(19(16)8-17)18-11-23-26(3)12-18/h4-8,10-12H,1-3H3,(H,25,28).
What are the key properties of 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide?
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide is sourced from PubChem (CID 164587242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).