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

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Related Compounds

N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191976
US10034861, Example 166
CID 132273459
US10034861, Example 167
CID 132273460
US10034861, Example 3
CID 132273302
US10034861, Example 10
CID 132273310
US10034861, Example 42
CID 132273341
N-[1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198052
3-amino-N-[1-methyl-3-[[(3R)-oxolan-3-yl]methoxy]indazol-6-yl]pyridine-2-carboxamide
CID 137513515
3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
CID 137513588
3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 137513608
3-amino-N-[1-methyl-3-[[(3S)-oxolan-3-yl]methoxy]indazol-6-yl]pyridine-2-carboxamide
CID 137513610
3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 148654645

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).