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-cyclopropylpyrazol-1-yl)acetamide

C24H25N7O2 — CID 121265731

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-cyclopropylpyrazol-1-yl)acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1ccc(C2CC2)n1
InChIInChI=1S/C24H25N7O2/c1-33-20-11-15(31-19-4-2-3-16(19)22-23(31)24(25)27-13-26-22)7-8-18(20)28-21(32)12-30-10-9-17(29-30)14-5-6-14/h7-11,13-14H,2-6,12H2,1H3,(H,28,32)(H2,25,26,27)
InChIKeyVNSGXRYVEFZHDE-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.21
Rot. Bonds6

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-cyclopropylpyrazol-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-cyclopropylpyrazol-1-yl)acetamide (PubChem CID 121265731) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 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-cyclopropylpyrazol-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-cyclopropylpyrazol-1-yl)acetamide
PubChem CID121265731
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
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-cyclopropylpyrazol-1-yl)acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1ccc(C2CC2)n1
InChIInChI=1S/C24H25N7O2/c1-33-20-11-15(31-19-4-2-3-16(19)22-23(31)24(25)27-13-26-22)7-8-18(20)28-21(32)12-30-10-9-17(29-30)14-5-6-14/h7-11,13-14H,2-6,12H2,1H3,(H,28,32)(H2,25,26,27)
InChIKeyVNSGXRYVEFZHDE-UHFFFAOYSA-N
XLogP3.21
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.21
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-cyclopropylpyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-cyclopropylpyrazol-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-cyclopropylpyrazol-1-yl)acetamide (CID 121265731) 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-cyclopropylpyrazol-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-cyclopropylpyrazol-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-cyclopropylpyrazol-1-yl)acetamide is COc1cc(-n2c3c(c4ncnc(N)c42)CCC3)ccc1NC(=O)Cn1ccc(C2CC2)n1.
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-cyclopropylpyrazol-1-yl)acetamide?
The InChIKey is VNSGXRYVEFZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-33-20-11-15(31-19-4-2-3-16(19)22-23(31)24(25)27-13-26-22)7-8-18(20)28-21(32)12-30-10-9-17(29-30)14-5-6-14/h7-11,13-14H,2-6,12H2,1H3,(H,28,32)(H2,25,26,27).
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-cyclopropylpyrazol-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-cyclopropylpyrazol-1-yl)acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.21, 6 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-cyclopropylpyrazol-1-yl)acetamide is sourced from PubChem (CID 121265731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).