3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

C21H22F3N7O — CID 58379591

IUPAC3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H22F3N7O/c1-28-11-13(9-26-28)15-3-4-16-18(27-15)19-17(10-25-16)29(2)20(32)31(19)14-5-7-30(8-6-14)12-21(22,23)24/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyOBRVVXHCETYKOV-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.88
Rot. Bonds3

About 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379591) has the molecular formula C21H22F3N7O and a molecular weight of 445.45 g/mol. Its IUPAC name is 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379591
Molecular FormulaC21H22F3N7O
Molecular Weight445.45 g/mol
Exact Mass445.18
IUPAC Name3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H22F3N7O/c1-28-11-13(9-26-28)15-3-4-16-18(27-15)19-17(10-25-16)29(2)20(32)31(19)14-5-7-30(8-6-14)12-21(22,23)24/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyOBRVVXHCETYKOV-UHFFFAOYSA-N
XLogP2.88
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379591) is 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1.
What is the InChIKey of 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is OBRVVXHCETYKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O/c1-28-11-13(9-26-28)15-3-4-16-18(27-15)19-17(10-25-16)29(2)20(32)31(19)14-5-7-30(8-6-14)12-21(22,23)24/h3-4,9-11,14H,5-8,12H2,1-2H3.
What are the key properties of 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 445.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(1-methylpyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).