1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one

C23H22F3N7O — CID 56941766

IUPAC1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1
InChIInChI=1S/C23H22F3N7O/c1-2-19(34)32-7-5-14(6-8-32)33-12-30-18-11-28-17-4-3-16(31-20(17)21(18)33)13-9-15(23(24,25)26)22(27)29-10-13/h3-4,9-12,14H,2,5-8H2,1H3,(H2,27,29)
InChIKeyOKCKOCOMEFYCAK-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.22
Rot. Bonds3

About 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one

1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 56941766) has the molecular formula C23H22F3N7O and a molecular weight of 469.47 g/mol. Its IUPAC name is 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID56941766
Molecular FormulaC23H22F3N7O
Molecular Weight469.47 g/mol
Exact Mass469.18
IUPAC Name1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1
InChIInChI=1S/C23H22F3N7O/c1-2-19(34)32-7-5-14(6-8-32)33-12-30-18-11-28-17-4-3-16(31-20(17)21(18)33)13-9-15(23(24,25)26)22(27)29-10-13/h3-4,9-12,14H,2,5-8H2,1H3,(H2,27,29)
InChIKeyOKCKOCOMEFYCAK-UHFFFAOYSA-N
XLogP4.22
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one (CID 56941766) is 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(n2cnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)nc4c32)CC1.
What is the InChIKey of 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OKCKOCOMEFYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-2-19(34)32-7-5-14(6-8-32)33-12-30-18-11-28-17-4-3-16(31-20(17)21(18)33)13-9-15(23(24,25)26)22(27)29-10-13/h3-4,9-12,14H,2,5-8H2,1H3,(H2,27,29).
What are the key properties of 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one?
1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 469.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56941766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).