[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C19H18F2N4O2 — CID 31104995

IUPAC[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1
InChIInChI=1S/C19H18F2N4O2/c1-3-14-16(10(2)27-24-14)19(26)25-8-7-15-11(9-25)18(23-22-15)17-12(20)5-4-6-13(17)21/h4-6H,3,7-9H2,1-2H3,(H,22,23)
InChIKeyJAAJOKRATCVFDU-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.41
Rot. Bonds3

About [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 31104995) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID31104995
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1
InChIInChI=1S/C19H18F2N4O2/c1-3-14-16(10(2)27-24-14)19(26)25-8-7-15-11(9-25)18(23-22-15)17-12(20)5-4-6-13(17)21/h4-6H,3,7-9H2,1-2H3,(H,22,23)
InChIKeyJAAJOKRATCVFDU-UHFFFAOYSA-N
XLogP3.41
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 31104995) is [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1.
What is the InChIKey of [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is JAAJOKRATCVFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-3-14-16(10(2)27-24-14)19(26)25-8-7-15-11(9-25)18(23-22-15)17-12(20)5-4-6-13(17)21/h4-6H,3,7-9H2,1-2H3,(H,22,23).
What are the key properties of [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 372.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 31104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).