N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine

C22H21N9O — CID 91314510

IUPACN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3C=CCC=N3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C22H21N9O/c1-14-28-19(20-22(29-14)26-13-25-20)17-9-15(12-31-8-4-3-7-27-31)10-24-21(17)30-16-5-6-18(32-2)23-11-16/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,26,28,29)
InChIKeyYIPDRWSJQWLCDO-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.58
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine

N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine (PubChem CID 91314510) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine
PubChem CID91314510
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(CN3C=CCC=N3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C22H21N9O/c1-14-28-19(20-22(29-14)26-13-25-20)17-9-15(12-31-8-4-3-7-27-31)10-24-21(17)30-16-5-6-18(32-2)23-11-16/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,26,28,29)
InChIKeyYIPDRWSJQWLCDO-UHFFFAOYSA-N
XLogP3.58
TPSA117.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

N-(6-methoxypyridin-1-ium-3-yl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine
CID 123718106
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 66600078
(1R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]-2,2-dimethylpropan-1-ol
CID 59548203
(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
CID 59548314
[(2S)-2-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-2-yl]methanol
CID 66599947
N-(6-methoxypyridin-1-ium-3-yl)-3-(2-methyl-7H-purin-6-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 123314731
1-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol
CID 59548254
[4-[1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]ethyl]piperazin-1-yl]methanesulfinic acid
CID 174663869
2-[6-[(6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethanol
CID 66599983
5-[(2-methoxyethylamino)methyl]-N-(6-methoxy-3-pyridinyl)-3-(4-methyl-1,3,5-triazin-2-yl)pyridin-2-amine
CID 68792912
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 66600304
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridazin-4-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548475

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine (CID 91314510) is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine is COc1ccc(Nc2ncc(CN3C=CCC=N3)cc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine?
The InChIKey is YIPDRWSJQWLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O/c1-14-28-19(20-22(29-14)26-13-25-20)17-9-15(12-31-8-4-3-7-27-31)10-24-21(17)30-16-5-6-18(32-2)23-11-16/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,26,28,29).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine has a molecular weight of 427.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(4H-pyridazin-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 91314510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).