7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine

C22H19N7O — CID 25065544

IUPAC7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H19N7O/c1-14(25-18-10-11-23-19-12-16(30-2)13-24-21(18)19)22-27-26-20-9-8-17(28-29(20)22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyHPYXJTVVUONRGY-AWEZNQCLSA-N
MW397.44 g/mol
LogP3.92
Rot. Bonds5

About 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine

7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 25065544) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID25065544
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCOc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C22H19N7O/c1-14(25-18-10-11-23-19-12-16(30-2)13-24-21(18)19)22-27-26-20-9-8-17(28-29(20)22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyHPYXJTVVUONRGY-AWEZNQCLSA-N
XLogP3.92
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine (CID 25065544) is 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine is COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is HPYXJTVVUONRGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19N7O/c1-14(25-18-10-11-23-19-12-16(30-2)13-24-21(18)19)22-27-26-20-9-8-17(28-29(20)22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine?
7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 397.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 25065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).