1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one

C20H19N7O — CID 86694293

IUPAC1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
SMILESO=c1n(C2CC2)c2nccnc2n1C1CC(Nc2ncc3ccccc3n2)C1
InChIInChI=1S/C20H19N7O/c28-20-26(14-5-6-14)17-18(22-8-7-21-17)27(20)15-9-13(10-15)24-19-23-11-12-3-1-2-4-16(12)25-19/h1-4,7-8,11,13-15H,5-6,9-10H2,(H,23,24,25)
InChIKeyDWMPFBQTEAWXHV-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one

1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one (PubChem CID 86694293) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
PubChem CID86694293
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
SMILESO=c1n(C2CC2)c2nccnc2n1C1CC(Nc2ncc3ccccc3n2)C1
InChIInChI=1S/C20H19N7O/c28-20-26(14-5-6-14)17-18(22-8-7-21-17)27(20)15-9-13(10-15)24-19-23-11-12-3-1-2-4-16(12)25-19/h1-4,7-8,11,13-15H,5-6,9-10H2,(H,23,24,25)
InChIKeyDWMPFBQTEAWXHV-UHFFFAOYSA-N
XLogP2.69
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one (CID 86694293) is 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one is O=c1n(C2CC2)c2nccnc2n1C1CC(Nc2ncc3ccccc3n2)C1.
What is the InChIKey of 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The InChIKey is DWMPFBQTEAWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20-26(14-5-6-14)17-18(22-8-7-21-17)27(20)15-9-13(10-15)24-19-23-11-12-3-1-2-4-16(12)25-19/h1-4,7-8,11,13-15H,5-6,9-10H2,(H,23,24,25).
What are the key properties of 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one has a molecular weight of 373.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 86694293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).