5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one

C25H26N6O3 — CID 126698060

IUPAC5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cnc3[nH]ncc3c2)ccc2c3oc(COCCN(C)C)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H26N6O3/c1-14-18(15-10-16-12-27-29-24(16)26-11-15)6-7-19-22(14)31(17-4-5-17)25(32)21-23(19)34-20(28-21)13-33-9-8-30(2)3/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3,(H,26,27,29)
InChIKeyCUTPUULHPDCTCZ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.80
Rot. Bonds7

About 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one

5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126698060) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126698060
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2cnc3[nH]ncc3c2)ccc2c3oc(COCCN(C)C)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H26N6O3/c1-14-18(15-10-16-12-27-29-24(16)26-11-15)6-7-19-22(14)31(17-4-5-17)25(32)21-23(19)34-20(28-21)13-33-9-8-30(2)3/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3,(H,26,27,29)
InChIKeyCUTPUULHPDCTCZ-UHFFFAOYSA-N
XLogP3.80
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-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 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126698060) is 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2cnc3[nH]ncc3c2)ccc2c3oc(COCCN(C)C)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is CUTPUULHPDCTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-14-18(15-10-16-12-27-29-24(16)26-11-15)6-7-19-22(14)31(17-4-5-17)25(32)21-23(19)34-20(28-21)13-33-9-8-30(2)3/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3,(H,26,27,29).
What are the key properties of 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 458.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126698060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).