[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C25H31FN6O — CID 50840215

IUPAC[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c21
InChIInChI=1S/C25H31FN6O/c1-3-32-23-20(18(2)28-32)8-11-27-24(23)30-12-9-19(10-13-30)25(33)31-16-14-29(15-17-31)22-7-5-4-6-21(22)26/h4-8,11,19H,3,9-10,12-17H2,1-2H3
InChIKeyXIGXTGGGONTESB-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.46
Rot. Bonds4

About [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 50840215) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID50840215
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c21
InChIInChI=1S/C25H31FN6O/c1-3-32-23-20(18(2)28-32)8-11-27-24(23)30-12-9-19(10-13-30)25(33)31-16-14-29(15-17-31)22-7-5-4-6-21(22)26/h4-8,11,19H,3,9-10,12-17H2,1-2H3
InChIKeyXIGXTGGGONTESB-UHFFFAOYSA-N
XLogP3.46
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]methanone
CID 50840078
2-[4-[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidine-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 50840036
[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50839482
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 50783327
[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;oxalic acid
CID 171151329
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 50840215) is [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c21.
What is the InChIKey of [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XIGXTGGGONTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O/c1-3-32-23-20(18(2)28-32)8-11-27-24(23)30-12-9-19(10-13-30)25(33)31-16-14-29(15-17-31)22-7-5-4-6-21(22)26/h4-8,11,19H,3,9-10,12-17H2,1-2H3.
What are the key properties of [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 450.56 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50840215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).