8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine

C27H25F2N7O2 — CID 177187036

IUPAC8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine
SMILESCOc1ccc(CNc2cc3c(-c4nc5ccc(N6CCOCC6)cn5n4)cnc(C(F)F)c3cn2)cc1
InChIInChI=1S/C27H25F2N7O2/c1-37-19-5-2-17(3-6-19)13-30-23-12-20-21(14-31-23)25(26(28)29)32-15-22(20)27-33-24-7-4-18(16-36(24)34-27)35-8-10-38-11-9-35/h2-7,12,14-16,26H,8-11,13H2,1H3,(H,30,31)
InChIKeyGYZYPEHHCMRCCD-UHFFFAOYSA-N
MW517.54 g/mol
LogP4.73
Rot. Bonds7

About 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine

8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine (PubChem CID 177187036) has the molecular formula C27H25F2N7O2 and a molecular weight of 517.54 g/mol. Its IUPAC name is 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine
PubChem CID177187036
Molecular FormulaC27H25F2N7O2
Molecular Weight517.54 g/mol
Exact Mass517.20
IUPAC Name8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine
SMILESCOc1ccc(CNc2cc3c(-c4nc5ccc(N6CCOCC6)cn5n4)cnc(C(F)F)c3cn2)cc1
InChIInChI=1S/C27H25F2N7O2/c1-37-19-5-2-17(3-6-19)13-30-23-12-20-21(14-31-23)25(26(28)29)32-15-22(20)27-33-24-7-4-18(16-36(24)34-27)35-8-10-38-11-9-35/h2-7,12,14-16,26H,8-11,13H2,1H3,(H,30,31)
InChIKeyGYZYPEHHCMRCCD-UHFFFAOYSA-N
XLogP4.73
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine?
The IUPAC name of 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine (CID 177187036) is 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine.
What is the SMILES notation for 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine?
The canonical SMILES for 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine is COc1ccc(CNc2cc3c(-c4nc5ccc(N6CCOCC6)cn5n4)cnc(C(F)F)c3cn2)cc1.
What is the InChIKey of 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine?
The InChIKey is GYZYPEHHCMRCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O2/c1-37-19-5-2-17(3-6-19)13-30-23-12-20-21(14-31-23)25(26(28)29)32-15-22(20)27-33-24-7-4-18(16-36(24)34-27)35-8-10-38-11-9-35/h2-7,12,14-16,26H,8-11,13H2,1H3,(H,30,31).
What are the key properties of 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine?
8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine has a molecular weight of 517.54 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-amine is sourced from PubChem (CID 177187036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).