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

C16H16F2N6O2 — CID 170576912

IUPACmethyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1nn(-c2nccc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12
InChIInChI=1S/C16H16F2N6O2/c1-4-10-9-8-20-13(22-15(25)26-3)7-11(9)24(23-10)14-19-6-5-12(21-14)16(2,17)18/h5-8H,4H2,1-3H3,(H,20,22,25)
InChIKeyGLRPJLDRTKSFEU-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.06
Rot. Bonds4

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

methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate (PubChem CID 170576912) has the molecular formula C16H16F2N6O2 and a molecular weight of 362.34 g/mol. Its IUPAC name is methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
PubChem CID170576912
Molecular FormulaC16H16F2N6O2
Molecular Weight362.34 g/mol
Exact Mass362.13
IUPAC Namemethyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1nn(-c2nccc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12
InChIInChI=1S/C16H16F2N6O2/c1-4-10-9-8-20-13(22-15(25)26-3)7-11(9)24(23-10)14-19-6-5-12(21-14)16(2,17)18/h5-8H,4H2,1-3H3,(H,20,22,25)
InChIKeyGLRPJLDRTKSFEU-UHFFFAOYSA-N
XLogP3.06
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The IUPAC name of methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate (CID 170576912) is methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate.
What is the SMILES notation for methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The canonical SMILES for methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate is CCc1nn(-c2nccc(C(C)(F)F)n2)c2cc(NC(=O)OC)ncc12.
What is the InChIKey of methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
The InChIKey is GLRPJLDRTKSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O2/c1-4-10-9-8-20-13(22-15(25)26-3)7-11(9)24(23-10)14-19-6-5-12(21-14)16(2,17)18/h5-8H,4H2,1-3H3,(H,20,22,25).
What are the key properties of methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate?
methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate has a molecular weight of 362.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate is sourced from PubChem (CID 170576912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).