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

C25H22F2N6O2S — CID 71232002

IUPAC[1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C25H22F2N6O2S/c26-20-3-2-18(10-21(20)27)33-23-4-1-16(9-17(23)11-29-33)24(34)32-12-19(13-32)30-5-7-31(8-6-30)25(35)22-14-36-15-28-22/h1-4,9-11,14-15,19H,5-8,12-13H2
InChIKeyJZWXULFVNNVNHP-UHFFFAOYSA-N
MW508.55 g/mol
LogP3.04
Rot. Bonds4

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

[1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 71232002) has the molecular formula C25H22F2N6O2S and a molecular weight of 508.55 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID71232002
Molecular FormulaC25H22F2N6O2S
Molecular Weight508.55 g/mol
Exact Mass508.15
IUPAC Name[1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C25H22F2N6O2S/c26-20-3-2-18(10-21(20)27)33-23-4-1-16(9-17(23)11-29-33)24(34)32-12-19(13-32)30-5-7-31(8-6-30)25(35)22-14-36-15-28-22/h1-4,9-11,14-15,19H,5-8,12-13H2
InChIKeyJZWXULFVNNVNHP-UHFFFAOYSA-N
XLogP3.04
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.55
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 71232002) is [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2c(cnn2-c2ccc(F)c(F)c2)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1.
What is the InChIKey of [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is JZWXULFVNNVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O2S/c26-20-3-2-18(10-21(20)27)33-23-4-1-16(9-17(23)11-29-33)24(34)32-12-19(13-32)30-5-7-31(8-6-30)25(35)22-14-36-15-28-22/h1-4,9-11,14-15,19H,5-8,12-13H2.
What are the key properties of [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 508.55 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)indazol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71232002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).