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

C19H19N5O2 — CID 157300722

IUPAC1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C19H19N5O2/c1-24-16-9-13(22-18-17-12(10-21-18)3-2-7-20-17)4-5-15(16)19(23-24)26-14-6-8-25-11-14/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22)
InChIKeyGFDWBDFRTBKDOX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds3

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

1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 157300722) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID157300722
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C19H19N5O2/c1-24-16-9-13(22-18-17-12(10-21-18)3-2-7-20-17)4-5-15(16)19(23-24)26-14-6-8-25-11-14/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22)
InChIKeyGFDWBDFRTBKDOX-UHFFFAOYSA-N
XLogP2.51
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo[4,3-c]pyridine, 4-(cyclohexyloxy)-3-[(1E)-2-(1-Methyl-1H-pyrazol-4-yl)ethenyl]-
CID 56943105
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66829086
4-(oxan-4-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 68069685
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
4-cyclohexyloxy-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 155516974
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
4-(oxolan-3-yloxy)-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine
CID 66829134

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 157300722) is 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OC2CCOC2)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is GFDWBDFRTBKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24-16-9-13(22-18-17-12(10-21-18)3-2-7-20-17)4-5-15(16)19(23-24)26-14-6-8-25-11-14/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,21,22).
What are the key properties of 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 349.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 157300722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).