(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

C18H17F2N5O — CID 95853462

IUPAC(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2nccnc21
InChIInChI=1S/C18H17F2N5O/c1-24-17-16(21-4-5-22-17)15(23-24)11-2-6-25(7-3-11)18(26)12-8-13(19)10-14(20)9-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyZDPSOCQODXUQNL-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.66
Rot. Bonds2

About (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 95853462) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID95853462
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESCn1nc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2nccnc21
InChIInChI=1S/C18H17F2N5O/c1-24-17-16(21-4-5-22-17)15(23-24)11-2-6-25(7-3-11)18(26)12-8-13(19)10-14(20)9-12/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyZDPSOCQODXUQNL-UHFFFAOYSA-N
XLogP2.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 46974021
3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
CID 110089991
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 136524748
1-methyl-3-(1-methylsulfonylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazine
CID 110269050
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
2-(2,4-difluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 110234161
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
CID 110258350

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (CID 95853462) is (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is Cn1nc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2nccnc21.
What is the InChIKey of (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZDPSOCQODXUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-24-17-16(21-4-5-22-17)15(23-24)11-2-6-25(7-3-11)18(26)12-8-13(19)10-14(20)9-12/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
(3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95853462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).