1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol

C16H23N5O — CID 95826916

IUPAC1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol
SMILESCn1nc(C2CN(CC3(O)CCCCC3)C2)c2nccnc21
InChIInChI=1S/C16H23N5O/c1-20-15-14(17-7-8-18-15)13(19-20)12-9-21(10-12)11-16(22)5-3-2-4-6-16/h7-8,12,22H,2-6,9-11H2,1H3
InChIKeyWHTDGOGQQYINPM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.46
Rot. Bonds3

About 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol

1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 95826916) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID95826916
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol
SMILESCn1nc(C2CN(CC3(O)CCCCC3)C2)c2nccnc21
InChIInChI=1S/C16H23N5O/c1-20-15-14(17-7-8-18-15)13(19-20)12-9-21(10-12)11-16(22)5-3-2-4-6-16/h7-8,12,22H,2-6,9-11H2,1H3
InChIKeyWHTDGOGQQYINPM-UHFFFAOYSA-N
XLogP1.46
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol (CID 95826916) is 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol is Cn1nc(C2CN(CC3(O)CCCCC3)C2)c2nccnc21.
What is the InChIKey of 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is WHTDGOGQQYINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-15-14(17-7-8-18-15)13(19-20)12-9-21(10-12)11-16(22)5-3-2-4-6-16/h7-8,12,22H,2-6,9-11H2,1H3.
What are the key properties of 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol?
1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 95826916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).