[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone

C27H21F2N5O2 — CID 118215039

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccc(F)c(F)c2)n1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C27H21F2N5O2/c28-20-6-5-19(15-21(20)29)34-24(17-7-11-30-12-8-17)16-23(32-34)27(35)33-13-9-18(10-14-33)26-31-22-3-1-2-4-25(22)36-26/h1-8,11-12,15-16,18H,9-10,13-14H2
InChIKeyRIWINAGUTQHZAF-UHFFFAOYSA-N
MW485.49 g/mol
LogP5.37
Rot. Bonds4

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone (PubChem CID 118215039) has the molecular formula C27H21F2N5O2 and a molecular weight of 485.49 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone
PubChem CID118215039
Molecular FormulaC27H21F2N5O2
Molecular Weight485.49 g/mol
Exact Mass485.17
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccc(F)c(F)c2)n1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C27H21F2N5O2/c28-20-6-5-19(15-21(20)29)34-24(17-7-11-30-12-8-17)16-23(32-34)27(35)33-13-9-18(10-14-33)26-31-22-3-1-2-4-25(22)36-26/h1-8,11-12,15-16,18H,9-10,13-14H2
InChIKeyRIWINAGUTQHZAF-UHFFFAOYSA-N
XLogP5.37
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone (CID 118215039) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone is O=C(c1cc(-c2ccncc2)n(-c2ccc(F)c(F)c2)n1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone?
The InChIKey is RIWINAGUTQHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O2/c28-20-6-5-19(15-21(20)29)34-24(17-7-11-30-12-8-17)16-23(32-34)27(35)33-13-9-18(10-14-33)26-31-22-3-1-2-4-25(22)36-26/h1-8,11-12,15-16,18H,9-10,13-14H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone has a molecular weight of 485.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 118215039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).