1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone

C21H29N5O — CID 172891987

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone
SMILESCc1cc2c(N3CCC(CC(=O)N4CC5CCCC5C4)CC3)nccn2n1
InChIInChI=1S/C21H29N5O/c1-15-11-19-21(22-7-10-26(19)23-15)24-8-5-16(6-9-24)12-20(27)25-13-17-3-2-4-18(17)14-25/h7,10-11,16-18H,2-6,8-9,12-14H2,1H3
InChIKeyBQDRMQQYNVEFDE-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.90
Rot. Bonds3

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone (PubChem CID 172891987) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone
PubChem CID172891987
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone
SMILESCc1cc2c(N3CCC(CC(=O)N4CC5CCCC5C4)CC3)nccn2n1
InChIInChI=1S/C21H29N5O/c1-15-11-19-21(22-7-10-26(19)23-15)24-8-5-16(6-9-24)12-20(27)25-13-17-3-2-4-18(17)14-25/h7,10-11,16-18H,2-6,8-9,12-14H2,1H3
InChIKeyBQDRMQQYNVEFDE-UHFFFAOYSA-N
XLogP2.90
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone (CID 172891987) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone is Cc1cc2c(N3CCC(CC(=O)N4CC5CCCC5C4)CC3)nccn2n1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is BQDRMQQYNVEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-11-19-21(22-7-10-26(19)23-15)24-8-5-16(6-9-24)12-20(27)25-13-17-3-2-4-18(17)14-25/h7,10-11,16-18H,2-6,8-9,12-14H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 367.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 172891987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).