(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

C21H24FN5O — CID 158140942

IUPAC(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESCn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(F)C5)CC4)ccnc3C2)cn1
InChIInChI=1S/C21H24FN5O/c1-25-13-16(12-24-25)14-10-18-19(11-14)23-3-2-20(18)26-4-6-27(7-5-26)21(28)15-8-17(22)9-15/h2-3,10,12-13,15,17H,4-9,11H2,1H3
InChIKeyFTXVJRMNVVOKTA-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.31
Rot. Bonds3

About (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 158140942) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
PubChem CID158140942
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESCn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(F)C5)CC4)ccnc3C2)cn1
InChIInChI=1S/C21H24FN5O/c1-25-13-16(12-24-25)14-10-18-19(11-14)23-3-2-20(18)26-4-6-27(7-5-26)21(28)15-8-17(22)9-15/h2-3,10,12-13,15,17H,4-9,11H2,1H3
InChIKeyFTXVJRMNVVOKTA-UHFFFAOYSA-N
XLogP2.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 162244097
2-cyclopropyl-1-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
CID 158468258
3,3,3-trifluoro-1-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 162013373
[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 159824616
ethyl 4-[6-[1-(oxetan-3-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158956474
cyclopropyl-[4-[6-[4-(oxolan-3-yl)phenyl]-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 161196197
1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
CID 158036297
ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543
cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
CID 142563199
(3-fluorocyclobutyl) 4-[3-fluoro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;3-fluoro-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 159227586
ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 162230999
benzene;cyclobutyl-[4-[2-(1-methylpyrazol-4-yl)-1-methylsulfinylpyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 142563288

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (CID 158140942) is (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(F)C5)CC4)ccnc3C2)cn1.
What is the InChIKey of (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
The InChIKey is FTXVJRMNVVOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-25-13-16(12-24-25)14-10-18-19(11-14)23-3-2-20(18)26-4-6-27(7-5-26)21(28)15-8-17(22)9-15/h2-3,10,12-13,15,17H,4-9,11H2,1H3.
What are the key properties of (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?
(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 381.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 158140942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).