5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

C21H21F2N5O2 — CID 118130765

IUPAC5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(OCC2CCC2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C21H21F2N5O2/c1-12-6-19(30-11-13-4-3-5-13)25-8-14(12)18-7-17(27-28(18)2)21(29)26-20-15(22)9-24-10-16(20)23/h6-10,13H,3-5,11H2,1-2H3,(H,24,26,29)
InChIKeyJVQJFUUWINQPKQ-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.89
Rot. Bonds6

About 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130765) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130765
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(OCC2CCC2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C
InChIInChI=1S/C21H21F2N5O2/c1-12-6-19(30-11-13-4-3-5-13)25-8-14(12)18-7-17(27-28(18)2)21(29)26-20-15(22)9-24-10-16(20)23/h6-10,13H,3-5,11H2,1-2H3,(H,24,26,29)
InChIKeyJVQJFUUWINQPKQ-UHFFFAOYSA-N
XLogP3.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-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 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130765) is 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is Cc1cc(OCC2CCC2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C.
What is the InChIKey of 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JVQJFUUWINQPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-12-6-19(30-11-13-4-3-5-13)25-8-14(12)18-7-17(27-28(18)2)21(29)26-20-15(22)9-24-10-16(20)23/h6-10,13H,3-5,11H2,1-2H3,(H,24,26,29).
What are the key properties of 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclobutylmethoxy)-4-methyl-3-pyridinyl]-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).