N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide

C28H22F2N4O — CID 170351721

IUPACN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35)
InChIKeyDHFJKGQOVRSDNK-UHFFFAOYSA-N
MW468.51 g/mol
LogP6.17
Rot. Bonds6

About N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351721) has the molecular formula C28H22F2N4O and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170351721
Molecular FormulaC28H22F2N4O
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC NameN-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35)
InChIKeyDHFJKGQOVRSDNK-UHFFFAOYSA-N
XLogP6.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide 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 N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351721) is N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is DHFJKGQOVRSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O/c1-19(35)32-25-17-24-23(18-31-25)26(27(29)30)33-34(24)28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,27H,1H3,(H,31,32,35).
What are the key properties of N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 468.51 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).