4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine

C20H22N6O — CID 122536055

IUPAC4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc4c(c3)CCN4)nc12
InChIInChI=1S/C20H22N6O/c1-20(2)19-24-15-14(11-3-4-11)23-17(25-18(15)26(19)7-8-27-20)13-9-12-5-6-21-16(12)22-10-13/h9-11H,3-8H2,1-2H3,(H,21,22)
InChIKeyGQTIISPVNFOWKI-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.00
Rot. Bonds2

About 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine

4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 122536055) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID122536055
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc4c(c3)CCN4)nc12
InChIInChI=1S/C20H22N6O/c1-20(2)19-24-15-14(11-3-4-11)23-17(25-18(15)26(19)7-8-27-20)13-9-12-5-6-21-16(12)22-10-13/h9-11H,3-8H2,1-2H3,(H,21,22)
InChIKeyGQTIISPVNFOWKI-UHFFFAOYSA-N
XLogP3.00
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine 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 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 122536055) is 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine is CC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc4c(c3)CCN4)nc12.
What is the InChIKey of 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is GQTIISPVNFOWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-20(2)19-24-15-14(11-3-4-11)23-17(25-18(15)26(19)7-8-27-20)13-9-12-5-6-21-16(12)22-10-13/h9-11H,3-8H2,1-2H3,(H,21,22).
What are the key properties of 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 362.44 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 122536055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).