[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

C20H24F2N4O — CID 170244141

IUPAC[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCCc1c(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)ccc(F)c1F
InChIInChI=1S/C20H24F2N4O/c1-2-13-14(3-4-16(21)18(13)22)12-6-9-26(10-7-12)20(27)19-15-5-8-23-11-17(15)24-25-19/h3-4,12,23H,2,5-11H2,1H3,(H,24,25)
InChIKeyVUOJZMLXOMABJB-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.92
Rot. Bonds3

About [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (PubChem CID 170244141) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
PubChem CID170244141
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESCCc1c(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)ccc(F)c1F
InChIInChI=1S/C20H24F2N4O/c1-2-13-14(3-4-16(21)18(13)22)12-6-9-26(10-7-12)20(27)19-15-5-8-23-11-17(15)24-25-19/h3-4,12,23H,2,5-11H2,1H3,(H,24,25)
InChIKeyVUOJZMLXOMABJB-UHFFFAOYSA-N
XLogP2.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-ethyl-3,4-difluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 170244845
[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483340
[4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 144955092
[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]methanone
CID 170244009
[4-(2-ethyl-3-fluorophenyl)piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 170244019
[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483485
1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 118483401
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 166616769
1-[3-[4-[3,4-difluoro-2-(1,2,2-trifluoroethenylsulfanyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 177334114
1-[3-[4-(3-fluoro-2-methylphenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 123990638
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-piperazin-1-ylsulfanyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 166919322
1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone;[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-prop-1-en-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone
CID 167574235

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The IUPAC name of [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (CID 170244141) is [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The canonical SMILES for [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is CCc1c(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)ccc(F)c1F.
What is the InChIKey of [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The InChIKey is VUOJZMLXOMABJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-2-13-14(3-4-16(21)18(13)22)12-6-9-26(10-7-12)20(27)19-15-5-8-23-11-17(15)24-25-19/h3-4,12,23H,2,5-11H2,1H3,(H,24,25).
What are the key properties of [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
[4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-3,4-difluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is sourced from PubChem (CID 170244141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).