N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C30H32F3N7O4 — CID 146178164

IUPACN-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3cnc(OC5CCN(C)CC5O)c(C(F)(F)F)c3)CC4C)ccnc2[nH]1
InChIInChI=1S/C30H32F3N7O4/c1-16-13-40(14-18-9-20(12-35-26(16)18)43-24-4-6-34-27-21(24)8-17(2)37-27)29(42)38-19-10-22(30(31,32)33)28(36-11-19)44-25-5-7-39(3)15-23(25)41/h4,6,8-12,16,23,25,41H,5,7,13-15H2,1-3H3,(H,34,37)(H,38,42)
InChIKeyYYUVBLNYCUEERB-UHFFFAOYSA-N
MW611.63 g/mol
LogP5.07
Rot. Bonds5

About N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146178164) has the molecular formula C30H32F3N7O4 and a molecular weight of 611.63 g/mol. Its IUPAC name is N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146178164
Molecular FormulaC30H32F3N7O4
Molecular Weight611.63 g/mol
Exact Mass611.25
IUPAC NameN-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3cnc(OC5CCN(C)CC5O)c(C(F)(F)F)c3)CC4C)ccnc2[nH]1
InChIInChI=1S/C30H32F3N7O4/c1-16-13-40(14-18-9-20(12-35-26(16)18)43-24-4-6-34-27-21(24)8-17(2)37-27)29(42)38-19-10-22(30(31,32)33)28(36-11-19)44-25-5-7-39(3)15-23(25)41/h4,6,8-12,16,23,25,41H,5,7,13-15H2,1-3H3,(H,34,37)(H,38,42)
InChIKeyYYUVBLNYCUEERB-UHFFFAOYSA-N
XLogP5.07
TPSA128.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.63
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146178164) is N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1cc2c(Oc3cnc4c(c3)CN(C(=O)Nc3cnc(OC5CCN(C)CC5O)c(C(F)(F)F)c3)CC4C)ccnc2[nH]1.
What is the InChIKey of N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is YYUVBLNYCUEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O4/c1-16-13-40(14-18-9-20(12-35-26(16)18)43-24-4-6-34-27-21(24)8-17(2)37-27)29(42)38-19-10-22(30(31,32)33)28(36-11-19)44-25-5-7-39(3)15-23(25)41/h4,6,8-12,16,23,25,41H,5,7,13-15H2,1-3H3,(H,34,37)(H,38,42).
What are the key properties of N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 611.63 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxy-1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146178164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).