6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one

C23H20N6O2 — CID 177380742

IUPAC6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(-c3ccc4nnc(CN5CCc6ncccc6C5)n4n3)cc21
InChIInChI=1S/C23H20N6O2/c30-20-8-11-31-21-5-3-15(12-17(20)21)19-4-6-22-25-26-23(29(22)27-19)14-28-10-7-18-16(13-28)2-1-9-24-18/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyCUCODZKLYZAUFI-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.71
Rot. Bonds3

About 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one

6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one (PubChem CID 177380742) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one
PubChem CID177380742
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(-c3ccc4nnc(CN5CCc6ncccc6C5)n4n3)cc21
InChIInChI=1S/C23H20N6O2/c30-20-8-11-31-21-5-3-15(12-17(20)21)19-4-6-22-25-26-23(29(22)27-19)14-28-10-7-18-16(13-28)2-1-9-24-18/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyCUCODZKLYZAUFI-UHFFFAOYSA-N
XLogP2.71
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one
CID 24905229
6-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one
CID 24905230
6-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-4H-chromen-4-one
CID 24905234
1-[3-[6-(2-Methoxyphenyl) imidazo[1,2-b]pyridazin-3-yl]phenyl] ethanone
CID 126673145
US11034671, Example 87
CID 138458611
US11034671, Example 105
CID 138459220
US11168095, Example 180
CID 142411946
US11440913, Example 377
CID 142581010
US11440913, Example 128
CID 155074072
US11440913, Example 152
CID 155074183
[4-[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone
CID 44607977
1-[3-[6-(3-Phenoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 71728500

Frequently Asked Questions

What is the IUPAC name of 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one (CID 177380742) is 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(-c3ccc4nnc(CN5CCc6ncccc6C5)n4n3)cc21.
What is the InChIKey of 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one?
The InChIKey is CUCODZKLYZAUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-20-8-11-31-21-5-3-15(12-17(20)21)19-4-6-22-25-26-23(29(22)27-19)14-28-10-7-18-16(13-28)2-1-9-24-18/h1-6,9,12H,7-8,10-11,13-14H2.
What are the key properties of 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one?
6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one has a molecular weight of 412.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 177380742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).