7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one

C22H23F2N7O — CID 123803130

IUPAC7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCc1c[nH]c2c(Nc3nc(NC4CCCCC4N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
InChIInChI=1S/C22H23F2N7O/c1-10-8-26-19-12(10)6-11(23)7-16(19)29-20-17-13(9-27-31-22(17)32)18(24)21(30-20)28-15-5-3-2-4-14(15)25/h6-9,14-15,26H,2-5,25H2,1H3,(H,31,32)(H2,28,29,30)
InChIKeyYQIWEIZIYSTBLA-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.81
Rot. Bonds4

About 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one

7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 123803130) has the molecular formula C22H23F2N7O and a molecular weight of 439.47 g/mol. Its IUPAC name is 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID123803130
Molecular FormulaC22H23F2N7O
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCc1c[nH]c2c(Nc3nc(NC4CCCCC4N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
InChIInChI=1S/C22H23F2N7O/c1-10-8-26-19-12(10)6-11(23)7-16(19)29-20-17-13(9-27-31-22(17)32)18(24)21(30-20)28-15-5-3-2-4-14(15)25/h6-9,14-15,26H,2-5,25H2,1H3,(H,31,32)(H2,28,29,30)
InChIKeyYQIWEIZIYSTBLA-UHFFFAOYSA-N
XLogP3.81
TPSA124.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

7-amino-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;2-methylcyclohexan-1-amine
CID 144573075
7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
CID 123884979
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[5-[(3-methyl-1H-indol-7-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyridazin-7-yl]amino]cyclohexyl]carbamate;7-chloro-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one;4,6-dichloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one;2,6-dichloropyridine-3-carboxylic acid;5,7-dichloro-3H-pyrido[3,4-d]pyridazin-4-one;hydrazine;methane;3-methyl-1H-indol-7-amine
CID 159514135
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(4-methylimidazol-1-yl)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137131592
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-fluoro-3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137036653
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
CID 115117806
2-[(2-aminocyclohexyl)amino]-4-[2-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494248
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736

Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (CID 123803130) is 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is Cc1c[nH]c2c(Nc3nc(NC4CCCCC4N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12.
What is the InChIKey of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is YQIWEIZIYSTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O/c1-10-8-26-19-12(10)6-11(23)7-16(19)29-20-17-13(9-27-31-22(17)32)18(24)21(30-20)28-15-5-3-2-4-14(15)25/h6-9,14-15,26H,2-5,25H2,1H3,(H,31,32)(H2,28,29,30).
What are the key properties of 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 439.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-aminocyclohexyl)amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 123803130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).