N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C15H14F2N6O — CID 170577651

IUPACN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cc(C)nc(C(C)(F)F)n1
InChIInChI=1S/C15H14F2N6O/c1-8-4-13(22-14(20-8)15(3,16)17)23-11-5-12(21-9(2)24)18-6-10(11)7-19-23/h4-7H,1-3H3,(H,18,21,24)
InChIKeyADHDRRGGUYNEFZ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.59
Rot. Bonds3

About N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577651) has the molecular formula C15H14F2N6O and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577651
Molecular FormulaC15H14F2N6O
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)cnn2-c1cc(C)nc(C(C)(F)F)n1
InChIInChI=1S/C15H14F2N6O/c1-8-4-13(22-14(20-8)15(3,16)17)23-11-5-12(21-9(2)24)18-6-10(11)7-19-23/h4-7H,1-3H3,(H,18,21,24)
InChIKeyADHDRRGGUYNEFZ-UHFFFAOYSA-N
XLogP2.59
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577159
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282300
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576964
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640887
methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170577523
N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170577490
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719
N-[1-[6-(3-fluorooxolan-3-yl)-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577008
N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577618
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
CID 170576876
N-[1-[3-(1-fluoro-2-methylpropan-2-yl)phenyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577851
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577651) is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)cnn2-c1cc(C)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is ADHDRRGGUYNEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O/c1-8-4-13(22-14(20-8)15(3,16)17)23-11-5-12(21-9(2)24)18-6-10(11)7-19-23/h4-7H,1-3H3,(H,18,21,24).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 332.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).