8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine

C22H25N9O — CID 25060894

IUPAC8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
SMILESCc1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N3CCc4nc[nH]c4C3)c2[nH]1
InChIInChI=1S/C22H25N9O/c1-14-25-19-20(26-14)28-22(29-21(19)31-7-6-17-18(12-31)24-13-23-17)27-15-2-4-16(5-3-15)30-8-10-32-11-9-30/h2-5,13H,6-12H2,1H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyFQDGQLDUQURWFE-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.53
Rot. Bonds4

About 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine

8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine (PubChem CID 25060894) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
PubChem CID25060894
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
SMILESCc1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N3CCc4nc[nH]c4C3)c2[nH]1
InChIInChI=1S/C22H25N9O/c1-14-25-19-20(26-14)28-22(29-21(19)31-7-6-17-18(12-31)24-13-23-17)27-15-2-4-16(5-3-15)30-8-10-32-11-9-30/h2-5,13H,6-12H2,1H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyFQDGQLDUQURWFE-UHFFFAOYSA-N
XLogP2.53
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-(4-piperazin-1-ylphenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 23648870
N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 67210638
6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174581810
4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid
CID 68841476
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 21081089
1-[4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidin-1-yl]ethanone
CID 59160532
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
6-N-[(4S)-dithian-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
CID 146282299
1-[4-[4-[(6-piperidin-1-yl-7H-purin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 174686616
6-[5-(aminomethyl)-2-chlorophenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174597306
1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol
CID 174597339

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine?
The IUPAC name of 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine (CID 25060894) is 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine.
What is the SMILES notation for 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine?
The canonical SMILES for 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine is Cc1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(N3CCc4nc[nH]c4C3)c2[nH]1.
What is the InChIKey of 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine?
The InChIKey is FQDGQLDUQURWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-14-25-19-20(26-14)28-22(29-21(19)31-7-6-17-18(12-31)24-13-23-17)27-15-2-4-16(5-3-15)30-8-10-32-11-9-30/h2-5,13H,6-12H2,1H3,(H,23,24)(H2,25,26,27,28,29).
What are the key properties of 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine?
8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine has a molecular weight of 431.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine is sourced from PubChem (CID 25060894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).