8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

C24H26F3N7O — CID 58379574

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H26F3N7O/c1-31(2)20-7-4-15(12-29-20)17-5-6-18-21(30-17)22-19(13-28-18)32(3)23(35)34(22)16-8-10-33(11-9-16)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3
InChIKeyWAMJHIPLMJJLBJ-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.61
Rot. Bonds4

About 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one

8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379574) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379574
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H26F3N7O/c1-31(2)20-7-4-15(12-29-20)17-5-6-18-21(30-17)22-19(13-28-18)32(3)23(35)34(22)16-8-10-33(11-9-16)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3
InChIKeyWAMJHIPLMJJLBJ-UHFFFAOYSA-N
XLogP3.61
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379574) is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CC(F)(F)F)CC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is WAMJHIPLMJJLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-31(2)20-7-4-15(12-29-20)17-5-6-18-21(30-17)22-19(13-28-18)32(3)23(35)34(22)16-8-10-33(11-9-16)14-24(25,26)27/h4-7,12-13,16H,8-11,14H2,1-3H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 485.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).