N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C24H19F6N7O3 — CID 58645700

IUPACN-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)NCCO)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H19F6N7O3/c1-40-11-13-7-17(36-19-10-32-18(9-33-19)24(28,29)30)14-2-3-16(37-21(14)35-13)20-15(23(25,26)27)6-12(8-34-20)22(39)31-4-5-38/h2-3,6-10,38H,4-5,11H2,1H3,(H,31,39)(H,33,35,36,37)
InChIKeyXJLDWOSAFSRWBN-UHFFFAOYSA-N
MW567.45 g/mol
LogP4.13
Rot. Bonds8

About N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58645700) has the molecular formula C24H19F6N7O3 and a molecular weight of 567.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58645700
Molecular FormulaC24H19F6N7O3
Molecular Weight567.45 g/mol
Exact Mass567.15
IUPAC NameN-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)NCCO)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C24H19F6N7O3/c1-40-11-13-7-17(36-19-10-32-18(9-33-19)24(28,29)30)14-2-3-16(37-21(14)35-13)20-15(23(25,26)27)6-12(8-34-20)22(39)31-4-5-38/h2-3,6-10,38H,4-5,11H2,1H3,(H,31,39)(H,33,35,36,37)
InChIKeyXJLDWOSAFSRWBN-UHFFFAOYSA-N
XLogP4.13
TPSA135.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 58645700) is N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is COCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)NCCO)cc3C(F)(F)F)nc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XJLDWOSAFSRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N7O3/c1-40-11-13-7-17(36-19-10-32-18(9-33-19)24(28,29)30)14-2-3-16(37-21(14)35-13)20-15(23(25,26)27)6-12(8-34-20)22(39)31-4-5-38/h2-3,6-10,38H,4-5,11H2,1H3,(H,31,39)(H,33,35,36,37).
What are the key properties of N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 567.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58645700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).