N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C23H25N7O2 — CID 121265606

IUPACN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C23H25N7O2/c1-13-9-14(2)29(28-13)11-20(31)27-17-8-7-15(10-19(17)32-3)30-18-6-4-5-16(18)21-22(30)23(24)26-12-25-21/h7-10,12H,4-6,11H2,1-3H3,(H,27,31)(H2,24,25,26)
InChIKeyQPKIZDADBIQFAX-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.95
Rot. Bonds5

About N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 121265606) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID121265606
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC NameN-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C23H25N7O2/c1-13-9-14(2)29(28-13)11-20(31)27-17-8-7-15(10-19(17)32-3)30-18-6-4-5-16(18)21-22(30)23(24)26-12-25-21/h7-10,12H,4-6,11H2,1-3H3,(H,27,31)(H2,24,25,26)
InChIKeyQPKIZDADBIQFAX-UHFFFAOYSA-N
XLogP2.95
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide with MolForge

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Related Compounds

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N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine
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N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)-3-methylindazol-7-amine
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2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 137550010
1-[4-[3-Methoxy-4-[[6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone
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N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
CID 166632833
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N-[2-[[2-(Dimethylamino)ethyl]methylamino]-5-[[4-(1H-indazol-1-yl)-2-pyrimidinyl]amino]-4-methoxyphenyl]-2-propenamide
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1-[4-[4-[(5-Fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-(methylamino)ethanone
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N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)phenyl]-2-(4-tert-butylpyrazol-1-yl)acetamide
CID 121265491

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 121265606) is N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is COc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1nc(C)cc1C.
What is the InChIKey of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is QPKIZDADBIQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-13-9-14(2)29(28-13)11-20(31)27-17-8-7-15(10-19(17)32-3)30-18-6-4-5-16(18)21-22(30)23(24)26-12-25-21/h7-10,12H,4-6,11H2,1-3H3,(H,27,31)(H2,24,25,26).
What are the key properties of N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 121265606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).