[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol

C14H17F2N5O3S — CID 90011721

IUPAC[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CC(CO)Cc2ncc(N)cc21
InChIInChI=1S/C14H17F2N5O3S/c1-8-13(6-20(19-8)14(15)16)25(23,24)21-5-9(7-22)2-11-12(21)3-10(17)4-18-11/h3-4,6,9,14,22H,2,5,7,17H2,1H3
InChIKeyCNQZRCRYDVJGLJ-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.92
Rot. Bonds4

About [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol

[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol (PubChem CID 90011721) has the molecular formula C14H17F2N5O3S and a molecular weight of 373.39 g/mol. Its IUPAC name is [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol
PubChem CID90011721
Molecular FormulaC14H17F2N5O3S
Molecular Weight373.39 g/mol
Exact Mass373.10
IUPAC Name[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CC(CO)Cc2ncc(N)cc21
InChIInChI=1S/C14H17F2N5O3S/c1-8-13(6-20(19-8)14(15)16)25(23,24)21-5-9(7-22)2-11-12(21)3-10(17)4-18-11/h3-4,6,9,14,22H,2,5,7,17H2,1H3
InChIKeyCNQZRCRYDVJGLJ-UHFFFAOYSA-N
XLogP0.92
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol?
The IUPAC name of [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol (CID 90011721) is [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol.
What is the SMILES notation for [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol?
The canonical SMILES for [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol is Cc1nn(C(F)F)cc1S(=O)(=O)N1CC(CO)Cc2ncc(N)cc21.
What is the InChIKey of [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol?
The InChIKey is CNQZRCRYDVJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O3S/c1-8-13(6-20(19-8)14(15)16)25(23,24)21-5-9(7-22)2-11-12(21)3-10(17)4-18-11/h3-4,6,9,14,22H,2,5,7,17H2,1H3.
What are the key properties of [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol?
[7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol has a molecular weight of 373.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]methanol is sourced from PubChem (CID 90011721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).