N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C21H22F3N3O3 — CID 170402766

IUPACN-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC(C)(CO)CC(F)F
InChIInChI=1S/C21H22F3N3O3/c1-13-19(20(29)25-21(2,12-28)10-18(23)24)17-9-15(7-8-27(17)26-13)30-11-14-5-3-4-6-16(14)22/h3-9,18,28H,10-12H2,1-2H3,(H,25,29)
InChIKeyLPTLAURVKXIRCI-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.50
Rot. Bonds8

About N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170402766) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170402766
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC(C)(CO)CC(F)F
InChIInChI=1S/C21H22F3N3O3/c1-13-19(20(29)25-21(2,12-28)10-18(23)24)17-9-15(7-8-27(17)26-13)30-11-14-5-3-4-6-16(14)22/h3-9,18,28H,10-12H2,1-2H3,(H,25,29)
InChIKeyLPTLAURVKXIRCI-UHFFFAOYSA-N
XLogP3.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide 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-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170402766) is N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nn2ccc(OCc3ccccc3F)cc2c1C(=O)NC(C)(CO)CC(F)F.
What is the InChIKey of N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LPTLAURVKXIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-13-19(20(29)25-21(2,12-28)10-18(23)24)17-9-15(7-8-27(17)26-13)30-11-14-5-3-4-6-16(14)22/h3-9,18,28H,10-12H2,1-2H3,(H,25,29).
What are the key properties of N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-1-hydroxy-2-methylbutan-2-yl)-5-[(2-fluorophenyl)methoxy]-2-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170402766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).