(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

C18H20N4O3 — CID 56778292

IUPAC(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1ccc2c(c1)OCC(C(=O)N1CCc3nnc(N)cc3C1)C2
InChIInChI=1S/C18H20N4O3/c1-24-14-3-2-11-6-13(10-25-16(11)8-14)18(23)22-5-4-15-12(9-22)7-17(19)21-20-15/h2-3,7-8,13H,4-6,9-10H2,1H3,(H2,19,21)
InChIKeyIVCQTHFYDQVLDP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.20
Rot. Bonds2

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (PubChem CID 56778292) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
PubChem CID56778292
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
SMILESCOc1ccc2c(c1)OCC(C(=O)N1CCc3nnc(N)cc3C1)C2
InChIInChI=1S/C18H20N4O3/c1-24-14-3-2-11-6-13(10-25-16(11)8-14)18(23)22-5-4-15-12(9-22)7-17(19)21-20-15/h2-3,7-8,13H,4-6,9-10H2,1H3,(H2,19,21)
InChIKeyIVCQTHFYDQVLDP-UHFFFAOYSA-N
XLogP1.20
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 49162584
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97273167
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95349952
[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95286989
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49195308
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92615489
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513

Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone (CID 56778292) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone.
What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is COc1ccc2c(c1)OCC(C(=O)N1CCc3nnc(N)cc3C1)C2.
What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
The InChIKey is IVCQTHFYDQVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-14-3-2-11-6-13(10-25-16(11)8-14)18(23)22-5-4-15-12(9-22)7-17(19)21-20-15/h2-3,7-8,13H,4-6,9-10H2,1H3,(H2,19,21).
What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone?
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone is sourced from PubChem (CID 56778292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).