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

C25H27N7O — CID 146310244

IUPAC2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(N)cncc1-c1ccc2cnc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)cc2c1
InChIInChI=1S/C25H27N7O/c1-15(2)31-7-6-20-10-24(30-32(20)14-25(31)33)29-23-9-19-8-17(4-5-18(19)11-28-23)21-12-27-13-22(26)16(21)3/h4-5,8-13,15H,6-7,14,26H2,1-3H3,(H,28,29,30)
InChIKeyLDLQTILGDYCMKS-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.92
Rot. Bonds4

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

2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 146310244) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID146310244
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1c(N)cncc1-c1ccc2cnc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)cc2c1
InChIInChI=1S/C25H27N7O/c1-15(2)31-7-6-20-10-24(30-32(20)14-25(31)33)29-23-9-19-8-17(4-5-18(19)11-28-23)21-12-27-13-22(26)16(21)3/h4-5,8-13,15H,6-7,14,26H2,1-3H3,(H,28,29,30)
InChIKeyLDLQTILGDYCMKS-UHFFFAOYSA-N
XLogP3.92
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 146310244) is 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is Cc1c(N)cncc1-c1ccc2cnc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)cc2c1.
What is the InChIKey of 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is LDLQTILGDYCMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-15(2)31-7-6-20-10-24(30-32(20)14-25(31)33)29-23-9-19-8-17(4-5-18(19)11-28-23)21-12-27-13-22(26)16(21)3/h4-5,8-13,15H,6-7,14,26H2,1-3H3,(H,28,29,30).
What are the key properties of 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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 441.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-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 146310244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).