2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C25H28N8O2 — CID 155478692

IUPAC2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOc1cncc(-c2cc(N)c3nnc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)cc3c2)c1C
InChIInChI=1S/C25H28N8O2/c1-14(2)32-6-5-18-10-23(31-33(18)13-24(32)34)28-22-9-17-7-16(8-20(26)25(17)30-29-22)19-11-27-12-21(35-4)15(19)3/h7-12,14H,5-6,13,26H2,1-4H3,(H,28,29,31)
InChIKeyAEZHRPMPHXVCPR-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.32
Rot. Bonds5

About 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 155478692) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID155478692
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOc1cncc(-c2cc(N)c3nnc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)cc3c2)c1C
InChIInChI=1S/C25H28N8O2/c1-14(2)32-6-5-18-10-23(31-33(18)13-24(32)34)28-22-9-17-7-16(8-20(26)25(17)30-29-22)19-11-27-12-21(35-4)15(19)3/h7-12,14H,5-6,13,26H2,1-4H3,(H,28,29,31)
InChIKeyAEZHRPMPHXVCPR-UHFFFAOYSA-N
XLogP3.32
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one 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 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 155478692) is 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is COc1cncc(-c2cc(N)c3nnc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)cc3c2)c1C.
What is the InChIKey of 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is AEZHRPMPHXVCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-14(2)32-6-5-18-10-23(31-33(18)13-24(32)34)28-22-9-17-7-16(8-20(26)25(17)30-29-22)19-11-27-12-21(35-4)15(19)3/h7-12,14H,5-6,13,26H2,1-4H3,(H,28,29,31).
What are the key properties of 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 472.55 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-amino-6-(5-methoxy-4-methyl-3-pyridinyl)cinnolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 155478692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).