5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine

C17H14ClN7O — CID 59548381

IUPAC5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C17H14ClN7O/c1-9-23-14(15-17(24-9)22-8-21-15)12-5-10(18)6-20-16(12)25-11-3-4-13(26-2)19-7-11/h3-8H,1-2H3,(H,20,25)(H,21,22,23,24)
InChIKeyASMRWTJRNXGSOP-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.52
Rot. Bonds4

About 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine

5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine (PubChem CID 59548381) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
PubChem CID59548381
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C17H14ClN7O/c1-9-23-14(15-17(24-9)22-8-21-15)12-5-10(18)6-20-16(12)25-11-3-4-13(26-2)19-7-11/h3-8H,1-2H3,(H,20,25)(H,21,22,23,24)
InChIKeyASMRWTJRNXGSOP-UHFFFAOYSA-N
XLogP3.52
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411874
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
2-(2,6-dichlorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383145
(3R)-1-[5-chloro-6-ethyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71561640
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 71718200
6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 10171540

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine (CID 59548381) is 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine is COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
The InChIKey is ASMRWTJRNXGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-9-23-14(15-17(24-9)22-8-21-15)12-5-10(18)6-20-16(12)25-11-3-4-13(26-2)19-7-11/h3-8H,1-2H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine has a molecular weight of 367.80 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine is sourced from PubChem (CID 59548381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).