N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide

C32H28F2N4O6 — CID 165373099

IUPACN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide
SMILESCOCc1nc(C)c(-c2ccc(F)cc2)c(OC)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C32H28F2N4O6/c1-17-27(18-6-8-19(33)9-7-18)30(42-4)28(23(36-17)16-40-2)31(39)37-20-10-11-24(21(34)14-20)44-25-12-13-35-22-15-26(41-3)32(43-5)38-29(22)25/h6-15H,16H2,1-5H3,(H,37,39)
InChIKeyKOJIJSUXCSCXGF-UHFFFAOYSA-N
MW602.59 g/mol
LogP6.50
Rot. Bonds10

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide (PubChem CID 165373099) has the molecular formula C32H28F2N4O6 and a molecular weight of 602.59 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide
PubChem CID165373099
Molecular FormulaC32H28F2N4O6
Molecular Weight602.59 g/mol
Exact Mass602.20
IUPAC NameN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide
SMILESCOCc1nc(C)c(-c2ccc(F)cc2)c(OC)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C32H28F2N4O6/c1-17-27(18-6-8-19(33)9-7-18)30(42-4)28(23(36-17)16-40-2)31(39)37-20-10-11-24(21(34)14-20)44-25-12-13-35-22-15-26(41-3)32(43-5)38-29(22)25/h6-15H,16H2,1-5H3,(H,37,39)
InChIKeyKOJIJSUXCSCXGF-UHFFFAOYSA-N
XLogP6.50
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.59
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide (CID 165373099) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide is COCc1nc(C)c(-c2ccc(F)cc2)c(OC)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1.
What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is KOJIJSUXCSCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O6/c1-17-27(18-6-8-19(33)9-7-18)30(42-4)28(23(36-17)16-40-2)31(39)37-20-10-11-24(21(34)14-20)44-25-12-13-35-22-15-26(41-3)32(43-5)38-29(22)25/h6-15H,16H2,1-5H3,(H,37,39).
What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide?
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 602.59 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 165373099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).