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

C14H11BrF2N6O — CID 170351719

IUPACN-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(Br)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C14H11BrF2N6O/c1-7(24)20-10-5-9-8(6-19-10)12(15)22-23(9)11-3-4-18-13(21-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,24)
InChIKeyOPOZUFCUCSGCOK-UHFFFAOYSA-N
MW397.18 g/mol
LogP3.04
Rot. Bonds3

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

N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351719) has the molecular formula C14H11BrF2N6O and a molecular weight of 397.18 g/mol. Its IUPAC name is N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170351719
Molecular FormulaC14H11BrF2N6O
Molecular Weight397.18 g/mol
Exact Mass396.01
IUPAC NameN-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(Br)nn2-c1ccnc(C(C)(F)F)n1
InChIInChI=1S/C14H11BrF2N6O/c1-7(24)20-10-5-9-8(6-19-10)12(15)22-23(9)11-3-4-18-13(21-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,24)
InChIKeyOPOZUFCUCSGCOK-UHFFFAOYSA-N
XLogP3.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577618
N-[3-bromo-1-[6-(1,1-difluoroethyl)-4-methoxy-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351861
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(2-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577004
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577622
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282288
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577292
N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576913
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[3-[(4-methoxyphenyl)methyl-methylamino]-4-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352170
N-[3-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028709
3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine
CID 170577783
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577651
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

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351719) is N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(Br)nn2-c1ccnc(C(C)(F)F)n1.
What is the InChIKey of N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is OPOZUFCUCSGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N6O/c1-7(24)20-10-5-9-8(6-19-10)12(15)22-23(9)11-3-4-18-13(21-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,24).
What are the key properties of N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 397.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).