3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide

C22H18N6O — CID 164587334

IUPAC3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnnc3)c2c1
InChIInChI=1S/C22H18N6O/c1-14(2)21-15(11-23)4-3-5-19(21)22(29)27-17-7-6-16-12-26-28(20(16)10-17)18-8-9-24-25-13-18/h3-10,12-14H,1-2H3,(H,27,29)
InChIKeyDWTHZGQFNYFHLF-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.06
Rot. Bonds4

About 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide

3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide (PubChem CID 164587334) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide.

Molecular Properties

Compound Name3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
PubChem CID164587334
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnnc3)c2c1
InChIInChI=1S/C22H18N6O/c1-14(2)21-15(11-23)4-3-5-19(21)22(29)27-17-7-6-16-12-26-28(20(16)10-17)18-8-9-24-25-13-18/h3-10,12-14H,1-2H3,(H,27,29)
InChIKeyDWTHZGQFNYFHLF-UHFFFAOYSA-N
XLogP4.06
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 164586856
3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen
CID 164587215
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
3-cyano-N-[4-methanimidoyl-3-[(2-methylpyrimidin-5-yl)amino]phenyl]-2-propan-2-ylbenzamide
CID 164586810
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164586786
3-cyano-N-[3-[[(Z)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]amino]-4-methanimidoylphenyl]-2-propan-2-ylbenzamide
CID 164586792
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 175755920

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide?
The IUPAC name of 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide (CID 164587334) is 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide.
What is the SMILES notation for 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide?
The canonical SMILES for 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide is CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn(-c3ccnnc3)c2c1.
What is the InChIKey of 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide?
The InChIKey is DWTHZGQFNYFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14(2)21-15(11-23)4-3-5-19(21)22(29)27-17-7-6-16-12-26-28(20(16)10-17)18-8-9-24-25-13-18/h3-10,12-14H,1-2H3,(H,27,29).
What are the key properties of 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide?
3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide is sourced from PubChem (CID 164587334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).