(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone

C23H20ClFN2O — CID 144574981

IUPAC(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C1CC1)n1nc(C2=CCCCC2)c2c(F)cccc21
InChIInChI=1S/C23H20ClFN2O/c24-17-9-4-8-16(14-12-13-14)20(17)23(28)27-19-11-5-10-18(25)21(19)22(26-27)15-6-2-1-3-7-15/h4-6,8-11,14H,1-3,7,12-13H2
InChIKeyJTYJTWAMCVOSFO-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.35
Rot. Bonds3

About (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone

(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone (PubChem CID 144574981) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone
PubChem CID144574981
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone
SMILESO=C(c1c(Cl)cccc1C1CC1)n1nc(C2=CCCCC2)c2c(F)cccc21
InChIInChI=1S/C23H20ClFN2O/c24-17-9-4-8-16(14-12-13-14)20(17)23(28)27-19-11-5-10-18(25)21(19)22(26-27)15-6-2-1-3-7-15/h4-6,8-11,14H,1-3,7,12-13H2
InChIKeyJTYJTWAMCVOSFO-UHFFFAOYSA-N
XLogP6.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone?
The IUPAC name of (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone (CID 144574981) is (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone?
The canonical SMILES for (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone is O=C(c1c(Cl)cccc1C1CC1)n1nc(C2=CCCCC2)c2c(F)cccc21.
What is the InChIKey of (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone?
The InChIKey is JTYJTWAMCVOSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c24-17-9-4-8-16(14-12-13-14)20(17)23(28)27-19-11-5-10-18(25)21(19)22(26-27)15-6-2-1-3-7-15/h4-6,8-11,14H,1-3,7,12-13H2.
What are the key properties of (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone?
(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone has a molecular weight of 394.88 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone is sourced from PubChem (CID 144574981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).