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

C21H18N6O — CID 147131567

IUPAC1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H18N6O/c1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyBQHYLTBPVUMJKQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.31
Rot. Bonds4

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

1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 147131567) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID147131567
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H18N6O/c1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyBQHYLTBPVUMJKQ-UHFFFAOYSA-N
XLogP3.31
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine with MolForge

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Related Compounds

4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198051
3-[[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]oxy]cyclohexan-1-amine
CID 89914565
US10034861, Example 77
CID 132273376
US10034861, Example 85
CID 132273384
US10034861, Example 199
CID 132273487
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192002
3-(1-methylindazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66825285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 147131567) is 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is BQHYLTBPVUMJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14/h2-11H,12-13H2,1H3,(H,24,25).
What are the key properties of 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 370.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 147131567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).