(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one

C44H36N4O2 — CID 139190874

IUPAC(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1.O=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1
InChIInChI=1S/2C22H18N2O/c2*25-22(18-11-5-2-6-12-18)15-21(17-9-3-1-4-10-17)24-20-14-8-7-13-19(20)16-23-24/h2*1-14,16,21H,15H2/t2*21-/m11/s1
InChIKeyRCAXPDCIQAKGIU-PRFAJPDFSA-N
MW652.80 g/mol
LogP9.80
Rot. Bonds10

About (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one

(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one (PubChem CID 139190874) has the molecular formula C44H36N4O2 and a molecular weight of 652.80 g/mol. Its IUPAC name is (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one
PubChem CID139190874
Molecular FormulaC44H36N4O2
Molecular Weight652.80 g/mol
Exact Mass652.28
IUPAC Name(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one
SMILESO=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1.O=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1
InChIInChI=1S/2C22H18N2O/c2*25-22(18-11-5-2-6-12-18)15-21(17-9-3-1-4-10-17)24-20-14-8-7-13-19(20)16-23-24/h2*1-14,16,21H,15H2/t2*21-/m11/s1
InChIKeyRCAXPDCIQAKGIU-PRFAJPDFSA-N
XLogP9.80
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 319155
[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione, 1,1'-diethyl-
CID 14228478
(2E,7E)-2,7-bis[(1,3-diphenylpyrazol-4-yl)methylidene]cycloheptan-1-one
CID 155550604
(3E,5E)-1-benzyl-3,5-bis[(1,3-diphenylpyrazol-4-yl)methylidene]piperidin-4-one
CID 155557816
Carbanthrene Red G 2B
CID 20178
2-Indazol-2-yl-1-phenylethanone
CID 139085126
1,1'-bis(1-methylethyl)(3,3'-bianthra(1,9-cd)pyrazole)-6,6'(1H,1'H)-dione
CID 56843318
(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone
CID 162405258
[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione, 1-methyl-1'-(1-methylethyl)-
CID 117094
2-(1-Methylpyrazol-3-yl)-1-[3-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]ethanone
CID 58267482
3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one?
The IUPAC name of (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one (CID 139190874) is (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one?
The canonical SMILES for (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one is O=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1.O=C(C[C@H](c1ccccc1)n1ncc2ccccc21)c1ccccc1.
What is the InChIKey of (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one?
The InChIKey is RCAXPDCIQAKGIU-PRFAJPDFSA-N. The full InChI is InChI=1S/2C22H18N2O/c2*25-22(18-11-5-2-6-12-18)15-21(17-9-3-1-4-10-17)24-20-14-8-7-13-19(20)16-23-24/h2*1-14,16,21H,15H2/t2*21-/m11/s1.
What are the key properties of (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one?
(3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one has a molecular weight of 652.80 g/mol, XLogP of 9.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-indazol-1-yl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 139190874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).