11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide

C17H17N7O2 — CID 169238460

IUPAC11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3c2ncn2cnnc32)c1C
InChIInChI=1S/C17H17N7O2/c1-8-4-5-10(26-3)9(2)13(8)24-14(18)11(15(19)25)12-16(24)20-6-23-7-21-22-17(12)23/h4-7H,18H2,1-3H3,(H2,19,25)
InChIKeyMQKATHUSAHOCFS-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.37
Rot. Bonds3

About 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide

11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide (PubChem CID 169238460) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide.

Molecular Properties

Compound Name11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
PubChem CID169238460
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
SMILESCOc1ccc(C)c(-n2c(N)c(C(N)=O)c3c2ncn2cnnc32)c1C
InChIInChI=1S/C17H17N7O2/c1-8-4-5-10(26-3)9(2)13(8)24-14(18)11(15(19)25)12-16(24)20-6-23-7-21-22-17(12)23/h4-7H,18H2,1-3H3,(H2,19,25)
InChIKeyMQKATHUSAHOCFS-UHFFFAOYSA-N
XLogP1.37
TPSA126.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide with MolForge

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Related Compounds

11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
11-amino-12-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carbonitrile
CID 172622430
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-7,10-dimethyl-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-5-carboxamide
CID 178111158
6-amino-3-bromo-5-(3-methoxy-2,6-dimethylphenyl)-2-(trideuteriomethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869631
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175548530
11-amino-8-cyclopropyloxy-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111133
ethyl 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxylate
CID 175942107
7-acetyl-6-amino-5-(3-methoxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]pyrazin-2-one
CID 156869576
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-1,3,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxamide
CID 172622120
6-amino-4-[2-(3-fluoro-4-pyridinyl)ethynyl]-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 172562905

Frequently Asked Questions

What is the IUPAC name of 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide?
The IUPAC name of 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide (CID 169238460) is 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide.
What is the SMILES notation for 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide?
The canonical SMILES for 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide is COc1ccc(C)c(-n2c(N)c(C(N)=O)c3c2ncn2cnnc32)c1C.
What is the InChIKey of 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide?
The InChIKey is MQKATHUSAHOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-8-4-5-10(26-3)9(2)13(8)24-14(18)11(15(19)25)12-16(24)20-6-23-7-21-22-17(12)23/h4-7H,18H2,1-3H3,(H2,19,25).
What are the key properties of 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide?
11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide is sourced from PubChem (CID 169238460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).