2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H24F2N8O — CID 90682731

IUPAC2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(n2cc(-c3cccnc3)nn2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H24F2N8O/c24-18-3-4-20(21(25)10-18)23(34,14-32-16-27-15-28-32)13-31-8-5-19(6-9-31)33-12-22(29-30-33)17-2-1-7-26-11-17/h1-4,7,10-12,15-16,19,34H,5-6,8-9,13-14H2
InChIKeyFEUKEZQVADVGOV-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.43
Rot. Bonds7

About 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 90682731) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID90682731
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(CN1CCC(n2cc(-c3cccnc3)nn2)CC1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H24F2N8O/c24-18-3-4-20(21(25)10-18)23(34,14-32-16-27-15-28-32)13-31-8-5-19(6-9-31)33-12-22(29-30-33)17-2-1-7-26-11-17/h1-4,7,10-12,15-16,19,34H,5-6,8-9,13-14H2
InChIKeyFEUKEZQVADVGOV-UHFFFAOYSA-N
XLogP2.43
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 90682731) is 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CN1CCC(n2cc(-c3cccnc3)nn2)CC1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is FEUKEZQVADVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c24-18-3-4-20(21(25)10-18)23(34,14-32-16-27-15-28-32)13-31-8-5-19(6-9-31)33-12-22(29-30-33)17-2-1-7-26-11-17/h1-4,7,10-12,15-16,19,34H,5-6,8-9,13-14H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 466.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 90682731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).