8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C28H29F3N8O3 — CID 146177980

IUPAC8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCC1CN(C(=O)Nc2cnc(OC3CCN(C)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]ncc34)cnc21
InChIInChI=1S/C28H29F3N8O3/c1-16-14-39(15-17-9-20(12-33-24(16)17)41-23-3-6-32-25-21(23)13-35-37-25)27(40)36-18-10-22(28(29,30)31)26(34-11-18)42-19-4-7-38(2)8-5-19/h3,6,9-13,16,19H,4-5,7-8,14-15H2,1-2H3,(H,36,40)(H,32,35,37)
InChIKeyLCXDXKWVDFFLPU-UHFFFAOYSA-N
MW582.59 g/mol
LogP5.18
Rot. Bonds5

About 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146177980) has the molecular formula C28H29F3N8O3 and a molecular weight of 582.59 g/mol. Its IUPAC name is 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146177980
Molecular FormulaC28H29F3N8O3
Molecular Weight582.59 g/mol
Exact Mass582.23
IUPAC Name8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCC1CN(C(=O)Nc2cnc(OC3CCN(C)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]ncc34)cnc21
InChIInChI=1S/C28H29F3N8O3/c1-16-14-39(15-17-9-20(12-33-24(16)17)41-23-3-6-32-25-21(23)13-35-37-25)27(40)36-18-10-22(28(29,30)31)26(34-11-18)42-19-4-7-38(2)8-5-19/h3,6,9-13,16,19H,4-5,7-8,14-15H2,1-2H3,(H,36,40)(H,32,35,37)
InChIKeyLCXDXKWVDFFLPU-UHFFFAOYSA-N
XLogP5.18
TPSA121.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146177980) is 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is CC1CN(C(=O)Nc2cnc(OC3CCN(C)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]ncc34)cnc21.
What is the InChIKey of 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is LCXDXKWVDFFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8O3/c1-16-14-39(15-17-9-20(12-33-24(16)17)41-23-3-6-32-25-21(23)13-35-37-25)27(40)36-18-10-22(28(29,30)31)26(34-11-18)42-19-4-7-38(2)8-5-19/h3,6,9-13,16,19H,4-5,7-8,14-15H2,1-2H3,(H,36,40)(H,32,35,37).
What are the key properties of 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 582.59 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-3-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146177980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).