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

C20H20FN5O2 — CID 148654645

IUPAC3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCOCC2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C20H20FN5O2/c1-26-16-9-13(24-19-18-12(10-23-19)3-2-7-22-18)4-5-14(16)20(25-26)28-17-6-8-27-11-15(17)21/h2-5,7,9,15,17H,6,8,10-11H2,1H3,(H,23,24)
InChIKeyNMOSRFBIOBBZNZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.85
Rot. Bonds3

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

3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 148654645) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID148654645
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCOCC2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C20H20FN5O2/c1-26-16-9-13(24-19-18-12(10-23-19)3-2-7-22-18)4-5-14(16)20(25-26)28-17-6-8-27-11-15(17)21/h2-5,7,9,15,17H,6,8,10-11H2,1H3,(H,23,24)
InChIKeyNMOSRFBIOBBZNZ-UHFFFAOYSA-N
XLogP2.85
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluorooxan-4-yl)oxy-1-methyl-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
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
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
4-(oxan-4-yloxy)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 56942222

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 148654645) is 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OC2CCOCC2F)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is NMOSRFBIOBBZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-26-16-9-13(24-19-18-12(10-23-19)3-2-7-22-18)4-5-14(16)20(25-26)28-17-6-8-27-11-15(17)21/h2-5,7,9,15,17H,6,8,10-11H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 381.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 148654645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).