[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

C18H24N6O — CID 71836265

IUPAC[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCC(Nc3ncnc4c3CCC4)C2)n1
InChIInChI=1S/C18H24N6O/c1-2-24-10-8-16(22-24)18(25)23-9-4-5-13(11-23)21-17-14-6-3-7-15(14)19-12-20-17/h8,10,12-13H,2-7,9,11H2,1H3,(H,19,20,21)
InChIKeyJHNMAPZGHWHLSG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.90
Rot. Bonds4

About [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 71836265) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID71836265
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCC(Nc3ncnc4c3CCC4)C2)n1
InChIInChI=1S/C18H24N6O/c1-2-24-10-8-16(22-24)18(25)23-9-4-5-13(11-23)21-17-14-6-3-7-15(14)19-12-20-17/h8,10,12-13H,2-7,9,11H2,1H3,(H,19,20,21)
InChIKeyJHNMAPZGHWHLSG-UHFFFAOYSA-N
XLogP1.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 71836265) is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCCC(Nc3ncnc4c3CCC4)C2)n1.
What is the InChIKey of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is JHNMAPZGHWHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-24-10-8-16(22-24)18(25)23-9-4-5-13(11-23)21-17-14-6-3-7-15(14)19-12-20-17/h8,10,12-13H,2-7,9,11H2,1H3,(H,19,20,21).
What are the key properties of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 71836265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).