3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

C22H24N6O — CID 162244097

IUPAC3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(C#N)C5)CC4)ccnc3C2)cn1
InChIInChI=1S/C22H24N6O/c1-26-14-18(13-25-26)16-10-19-20(11-16)24-3-2-21(19)27-4-6-28(7-5-27)22(29)17-8-15(9-17)12-23/h2-3,10,13-15,17H,4-9,11H2,1H3
InChIKeyZXCCCAWNUOTITG-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.11
Rot. Bonds3

About 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile

3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 162244097) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID162244097
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(C#N)C5)CC4)ccnc3C2)cn1
InChIInChI=1S/C22H24N6O/c1-26-14-18(13-25-26)16-10-19-20(11-16)24-3-2-21(19)27-4-6-28(7-5-27)22(29)17-8-15(9-17)12-23/h2-3,10,13-15,17H,4-9,11H2,1H3
InChIKeyZXCCCAWNUOTITG-UHFFFAOYSA-N
XLogP2.11
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile with MolForge

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Related Compounds

(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 158140942
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
ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158413507
oxetan-3-yl 4-[6-(5-cyanothiophen-3-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158293893
1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
CID 158036297
cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
CID 142563199
ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 162230999
ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile (CID 162244097) is 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CC(C#N)C5)CC4)ccnc3C2)cn1.
What is the InChIKey of 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is ZXCCCAWNUOTITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26-14-18(13-25-26)16-10-19-20(11-16)24-3-2-21(19)27-4-6-28(7-5-27)22(29)17-8-15(9-17)12-23/h2-3,10,13-15,17H,4-9,11H2,1H3.
What are the key properties of 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 388.48 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 162244097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).