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

C23H17ClF2N6O — CID 177187435

IUPAC5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine
SMILESCOc1ccc(CNc2cc3c(-c4nc5ccc(Cl)cn5n4)cnc(C(F)F)c3cn2)cc1
InChIInChI=1S/C23H17ClF2N6O/c1-33-15-5-2-13(3-6-15)9-27-19-8-16-17(10-28-19)21(22(25)26)29-11-18(16)23-30-20-7-4-14(24)12-32(20)31-23/h2-8,10-12,22H,9H2,1H3,(H,27,28)
InChIKeyRPYFRTSSUGKIOI-UHFFFAOYSA-N
MW466.88 g/mol
LogP5.55
Rot. Bonds6

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

5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine (PubChem CID 177187435) has the molecular formula C23H17ClF2N6O and a molecular weight of 466.88 g/mol. Its IUPAC name is 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine
PubChem CID177187435
Molecular FormulaC23H17ClF2N6O
Molecular Weight466.88 g/mol
Exact Mass466.11
IUPAC Name5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine
SMILESCOc1ccc(CNc2cc3c(-c4nc5ccc(Cl)cn5n4)cnc(C(F)F)c3cn2)cc1
InChIInChI=1S/C23H17ClF2N6O/c1-33-15-5-2-13(3-6-15)9-27-19-8-16-17(10-28-19)21(22(25)26)29-11-18(16)23-30-20-7-4-14(24)12-32(20)31-23/h2-8,10-12,22H,9H2,1H3,(H,27,28)
InChIKeyRPYFRTSSUGKIOI-UHFFFAOYSA-N
XLogP5.55
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine?
The IUPAC name of 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine (CID 177187435) is 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine.
What is the SMILES notation for 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine?
The canonical SMILES for 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine is COc1ccc(CNc2cc3c(-c4nc5ccc(Cl)cn5n4)cnc(C(F)F)c3cn2)cc1.
What is the InChIKey of 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine?
The InChIKey is RPYFRTSSUGKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N6O/c1-33-15-5-2-13(3-6-15)9-27-19-8-16-17(10-28-19)21(22(25)26)29-11-18(16)23-30-20-7-4-14(24)12-32(20)31-23/h2-8,10-12,22H,9H2,1H3,(H,27,28).
What are the key properties of 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine?
5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine has a molecular weight of 466.88 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(difluoromethyl)-N-[(4-methoxyphenyl)methyl]-2,7-naphthyridin-3-amine is sourced from PubChem (CID 177187435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).