methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate

C17H18F2N6O2 — CID 170577523

IUPACmethyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12
InChIInChI=1S/C17H18F2N6O2/c1-5-11-10-8-20-13(22-16(26)27-4)7-12(10)25(24-11)14-6-9(2)21-15(23-14)17(3,18)19/h6-8H,5H2,1-4H3,(H,20,22,26)
InChIKeyHQRYRIDPBDYHFQ-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.37
Rot. Bonds4

About methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate

methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate (PubChem CID 170577523) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
PubChem CID170577523
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Namemethyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12
InChIInChI=1S/C17H18F2N6O2/c1-5-11-10-8-20-13(22-16(26)27-4)7-12(10)25(24-11)14-6-9(2)21-15(23-14)17(3,18)19/h6-8H,5H2,1-4H3,(H,20,22,26)
InChIKeyHQRYRIDPBDYHFQ-UHFFFAOYSA-N
XLogP3.37
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170576912
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-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577909
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
methyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170425088
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]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577651
benzyl N-[1-[6-acetamido-1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 175955973
N-[3-cyclopropyl-1-[2-(1,1-difluoroethyl)-6-[(3-methoxycyclobutyl)methoxy]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577207
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577384
3-bromo-1-[2-(2-fluoropropan-2-yl)-6-methylpyrimidin-4-yl]-N-methylpyrazolo[4,3-c]pyridin-6-amine
CID 170577783
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate (CID 170577523) is methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate is CCc1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12.
What is the InChIKey of methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The InChIKey is HQRYRIDPBDYHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2/c1-5-11-10-8-20-13(22-16(26)27-4)7-12(10)25(24-11)14-6-9(2)21-15(23-14)17(3,18)19/h6-8H,5H2,1-4H3,(H,20,22,26).
What are the key properties of methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate has a molecular weight of 376.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate is sourced from PubChem (CID 170577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).