(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H24N6O2S — CID 66839945

IUPAC(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(cnn2-c2ccccc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C25H24N6O2S/c32-24(18-6-7-22-19(14-18)15-27-31(22)20-4-2-1-3-5-20)30-16-21(17-30)28-9-11-29(12-10-28)25(33)23-26-8-13-34-23/h1-8,13-15,21H,9-12,16-17H2
InChIKeyJKVNJLHMXDGKCY-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.76
Rot. Bonds4

About (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66839945) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66839945
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(cnn2-c2ccccc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C25H24N6O2S/c32-24(18-6-7-22-19(14-18)15-27-31(22)20-4-2-1-3-5-20)30-16-21(17-30)28-9-11-29(12-10-28)25(33)23-26-8-13-34-23/h1-8,13-15,21H,9-12,16-17H2
InChIKeyJKVNJLHMXDGKCY-UHFFFAOYSA-N
XLogP2.76
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66839945) is (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2c(cnn2-c2ccccc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.
What is the InChIKey of (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is JKVNJLHMXDGKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c32-24(18-6-7-22-19(14-18)15-27-31(22)20-4-2-1-3-5-20)30-16-21(17-30)28-9-11-29(12-10-28)25(33)23-26-8-13-34-23/h1-8,13-15,21H,9-12,16-17H2.
What are the key properties of (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
(1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 472.57 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylindazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66839945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).