3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane

C24H34N6O3 — CID 154649345

IUPAC3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane
SMILESC1CCC1.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12
InChIInChI=1S/C20H26N6O3.C4H8/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-2-4-3-1/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);1-4H2
InChIKeyOSWXPNOTFBGQNH-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.49
Rot. Bonds6

About 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane

3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane (PubChem CID 154649345) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane.

Molecular Properties

Compound Name3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane
PubChem CID154649345
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane
SMILESC1CCC1.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12
InChIInChI=1S/C20H26N6O3.C4H8/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-2-4-3-1/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);1-4H2
InChIKeyOSWXPNOTFBGQNH-UHFFFAOYSA-N
XLogP3.49
TPSA131.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane 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 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane?
The IUPAC name of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane (CID 154649345) is 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane.
What is the SMILES notation for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane?
The canonical SMILES for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane is C1CCC1.CC(O)(CO)CNc1nc(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.
What is the InChIKey of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane?
The InChIKey is OSWXPNOTFBGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3.C4H8/c1-20(28,12-27)11-22-18-14-6-5-13(10-15(14)24-19(21)25-18)16-7-8-23-26(16)17-4-2-3-9-29-17;1-2-4-3-1/h5-8,10,17,27-28H,2-4,9,11-12H2,1H3,(H3,21,22,24,25);1-4H2.
What are the key properties of 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane?
3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane has a molecular weight of 454.58 g/mol, XLogP of 3.49, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinazolin-4-yl]amino]-2-methylpropane-1,2-diol;cyclobutane is sourced from PubChem (CID 154649345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).