(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

C18H22F2N4O — CID 124981162

IUPAC(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22F2N4O/c19-18(20)7-5-12(6-8-18)17(25)24-9-1-2-14(11-24)15-4-3-13-10-21-23-16(13)22-15/h3-4,10,12,14H,1-2,5-9,11H2,(H,21,22,23)/t14-/m1/s1
InChIKeyMOGAATFYMCILPT-CQSZACIVSA-N
MW348.40 g/mol
LogP3.49
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (PubChem CID 124981162) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
PubChem CID124981162
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22F2N4O/c19-18(20)7-5-12(6-8-18)17(25)24-9-1-2-14(11-24)15-4-3-13-10-21-23-16(13)22-15/h3-4,10,12,14H,1-2,5-9,11H2,(H,21,22,23)/t14-/m1/s1
InChIKeyMOGAATFYMCILPT-CQSZACIVSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118652
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
CID 124980416
(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118698
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 155987018

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone (CID 124981162) is (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The InChIKey is MOGAATFYMCILPT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-18(20)7-5-12(6-8-18)17(25)24-9-1-2-14(11-24)15-4-3-13-10-21-23-16(13)22-15/h3-4,10,12,14H,1-2,5-9,11H2,(H,21,22,23)/t14-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone has a molecular weight of 348.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124981162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).