1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone

C21H23N5O — CID 158036297

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
SMILESCC#CC1=C(c2cnn(C)c2)Cc2nccc(N3CCN(C(C)=O)CC3)c21
InChIInChI=1S/C21H23N5O/c1-4-5-17-18(16-13-23-24(3)14-16)12-19-21(17)20(6-7-22-19)26-10-8-25(9-11-26)15(2)27/h6-7,13-14H,8-12H2,1-3H3
InChIKeySNWZOMPNUJEIRD-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.97
Rot. Bonds2

About 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone (PubChem CID 158036297) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
PubChem CID158036297
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
SMILESCC#CC1=C(c2cnn(C)c2)Cc2nccc(N3CCN(C(C)=O)CC3)c21
InChIInChI=1S/C21H23N5O/c1-4-5-17-18(16-13-23-24(3)14-16)12-19-21(17)20(6-7-22-19)26-10-8-25(9-11-26)15(2)27/h6-7,13-14H,8-12H2,1-3H3
InChIKeySNWZOMPNUJEIRD-UHFFFAOYSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159399543
(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 158140942
3-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 162244097
oxetan-3-yl 4-[5-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159002850
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
tert-butyl 4-[1-(benzenesulfinyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570100
(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158825810
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
CID 172902881
propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563255
ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
CID 160981616

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone (CID 158036297) is 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone is CC#CC1=C(c2cnn(C)c2)Cc2nccc(N3CCN(C(C)=O)CC3)c21.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is SNWZOMPNUJEIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-5-17-18(16-13-23-24(3)14-16)12-19-21(17)20(6-7-22-19)26-10-8-25(9-11-26)15(2)27/h6-7,13-14H,8-12H2,1-3H3.
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 158036297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).