7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H22N8O — CID 90258395

IUPAC7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4[nH]nc(-c5ccccc5)c4C3)nc21
InChIInChI=1S/C23H22N8O/c1-32-18-9-5-8-15-21(18)26-23(24)31-22(15)25-19(29-31)10-11-30-12-16-17(13-30)27-28-20(16)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H2,24,26)(H,27,28)
InChIKeyAXRRGPRSOHGZKS-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.82
Rot. Bonds5

About 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90258395) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258395
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4[nH]nc(-c5ccccc5)c4C3)nc21
InChIInChI=1S/C23H22N8O/c1-32-18-9-5-8-15-21(18)26-23(24)31-22(15)25-19(29-31)10-11-30-12-16-17(13-30)27-28-20(16)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H2,24,26)(H,27,28)
InChIKeyAXRRGPRSOHGZKS-UHFFFAOYSA-N
XLogP2.82
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90258395) is 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCN3Cc4[nH]nc(-c5ccccc5)c4C3)nc21.
What is the InChIKey of 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is AXRRGPRSOHGZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-32-18-9-5-8-15-21(18)26-23(24)31-22(15)25-19(29-31)10-11-30-12-16-17(13-30)27-28-20(16)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H2,24,26)(H,27,28).
What are the key properties of 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 426.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90258395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).