N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

C18H21FN6 — CID 59412164

IUPACN-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1nc(C2CCCCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C
InChIInChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyNRFNSOIBXUBPGR-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.30
Rot. Bonds3

About N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 59412164) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID59412164
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC NameN-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1nc(C2CCCCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C
InChIInChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyNRFNSOIBXUBPGR-UHFFFAOYSA-N
XLogP4.30
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 59412164) is N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1nc(C2CCCCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C.
What is the InChIKey of N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is NRFNSOIBXUBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-10-11(2)21-16(12-6-4-3-5-7-12)22-15(10)23-18-14-8-13(19)9-20-17(14)24-25-18/h8-9,12H,3-7H2,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 340.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 59412164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).