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

C21H18N6O2 — CID 162670217

IUPAC2-(aminomethyl)-5-cyclopropyl-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(CN)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H18N6O2/c1-10-14(11-6-12-9-24-26-20(12)23-8-11)4-5-15-18(10)27(13-2-3-13)21(28)17-19(15)29-16(7-22)25-17/h4-6,8-9,13H,2-3,7,22H2,1H3,(H,23,24,26)
InChIKeyWNQBSZMKYWMZEY-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.18
Rot. Bonds3

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

2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 162670217) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID162670217
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-(aminomethyl)-5-cyclopropyl-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(CN)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H18N6O2/c1-10-14(11-6-12-9-24-26-20(12)23-8-11)4-5-15-18(10)27(13-2-3-13)21(28)17-19(15)29-16(7-22)25-17/h4-6,8-9,13H,2-3,7,22H2,1H3,(H,23,24,26)
InChIKeyWNQBSZMKYWMZEY-UHFFFAOYSA-N
XLogP3.18
TPSA115.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(aminomethyl)-5-cyclopropyl-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 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 162670217) is 2-(aminomethyl)-5-cyclopropyl-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 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-cyclopropyl-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(CN)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is WNQBSZMKYWMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-10-14(11-6-12-9-24-26-20(12)23-8-11)4-5-15-18(10)27(13-2-3-13)21(28)17-19(15)29-16(7-22)25-17/h4-6,8-9,13H,2-3,7,22H2,1H3,(H,23,24,26).
What are the key properties of 2-(aminomethyl)-5-cyclopropyl-6-methyl-7-(1H-pyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-(aminomethyl)-5-cyclopropyl-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 386.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-cyclopropyl-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 162670217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).