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

C22H25N7O — CID 123884979

IUPAC7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCc1ccc(Nc2nc(NC3CCCCC3N)cc3cn[nH]c(=O)c23)c2cc[nH]c12
InChIInChI=1S/C22H25N7O/c1-12-6-7-16(14-8-9-24-20(12)14)27-21-19-13(11-25-29-22(19)30)10-18(28-21)26-17-5-3-2-4-15(17)23/h6-11,15,17,24H,2-5,23H2,1H3,(H,29,30)(H2,26,27,28)
InChIKeyXBZVWZQEIKYLHW-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.53
Rot. Bonds4

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

7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 123884979) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID123884979
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCc1ccc(Nc2nc(NC3CCCCC3N)cc3cn[nH]c(=O)c23)c2cc[nH]c12
InChIInChI=1S/C22H25N7O/c1-12-6-7-16(14-8-9-24-20(12)14)27-21-19-13(11-25-29-22(19)30)10-18(28-21)26-17-5-3-2-4-15(17)23/h6-11,15,17,24H,2-5,23H2,1H3,(H,29,30)(H2,26,27,28)
InChIKeyXBZVWZQEIKYLHW-UHFFFAOYSA-N
XLogP3.53
TPSA124.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One
CID 135566923
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 102532139
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056544
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
CID 53326216
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
Piperazine,1-[3-(ethylamino)-2-pyridinyl]-4-(1h-indol-7-ylcarbonyl)-
CID 455382
1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23581858

Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one (CID 123884979) is 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is Cc1ccc(Nc2nc(NC3CCCCC3N)cc3cn[nH]c(=O)c23)c2cc[nH]c12.
What is the InChIKey of 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is XBZVWZQEIKYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-12-6-7-16(14-8-9-24-20(12)14)27-21-19-13(11-25-29-22(19)30)10-18(28-21)26-17-5-3-2-4-15(17)23/h6-11,15,17,24H,2-5,23H2,1H3,(H,29,30)(H2,26,27,28).
What are the key properties of 7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one?
7-[(2-aminocyclohexyl)amino]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 403.49 g/mol, XLogP of 3.53, 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]-5-[(7-methyl-1H-indol-4-yl)amino]-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 123884979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).