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

C21H22FN5O — CID 159730992

IUPAC3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCCCC2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H22FN5O/c1-27-17-11-14(25-20-19-13(12-24-20)5-4-10-23-19)8-9-15(17)21(26-27)28-18-7-3-2-6-16(18)22/h4-5,8-11,16,18H,2-3,6-7,12H2,1H3,(H,24,25)
InChIKeyDTUVFGFDWDSTAP-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.00
Rot. Bonds3

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

3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 159730992) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID159730992
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCn1nc(OC2CCCCC2F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C21H22FN5O/c1-27-17-11-14(25-20-19-13(12-24-20)5-4-10-23-19)8-9-15(17)21(26-27)28-18-7-3-2-6-16(18)22/h4-5,8-11,16,18H,2-3,6-7,12H2,1H3,(H,24,25)
InChIKeyDTUVFGFDWDSTAP-UHFFFAOYSA-N
XLogP4.00
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine with MolForge

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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
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
US10034861, Example 85
CID 132273384
US10034861, Example 199
CID 132273487
1-(4-ethoxyphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190447
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 159730992) is 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cn1nc(OC2CCCCC2F)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is DTUVFGFDWDSTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-27-17-11-14(25-20-19-13(12-24-20)5-4-10-23-19)8-9-15(17)21(26-27)28-18-7-3-2-6-16(18)22/h4-5,8-11,16,18H,2-3,6-7,12H2,1H3,(H,24,25).
What are the key properties of 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 379.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 159730992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).