1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C20H18N6O2 — CID 158820869

IUPAC1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1
InChIInChI=1S/C20H18N6O2/c1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyQGMIMYCYKOJNSB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.22
Rot. Bonds4

About 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 158820869) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID158820869
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1
InChIInChI=1S/C20H18N6O2/c1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyQGMIMYCYKOJNSB-UHFFFAOYSA-N
XLogP3.22
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine 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 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 158820869) is 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1.
What is the InChIKey of 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is QGMIMYCYKOJNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18/h3-9H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 374.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 158820869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).