[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C18H24N6O — CID 71830050

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H24N6O/c1-2-24-16(6-9-21-24)18(25)23-10-7-13(8-11-23)22-17-14-4-3-5-15(14)19-12-20-17/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,19,20,22)
InChIKeyKSBYWMPQLAEJLP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.90
Rot. Bonds4

About [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 71830050) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID71830050
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H24N6O/c1-2-24-16(6-9-21-24)18(25)23-10-7-13(8-11-23)22-17-14-4-3-5-15(14)19-12-20-17/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,19,20,22)
InChIKeyKSBYWMPQLAEJLP-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

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 71830050) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is KSBYWMPQLAEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-24-16(6-9-21-24)18(25)23-10-7-13(8-11-23)22-17-14-4-3-5-15(14)19-12-20-17/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,19,20,22).
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-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 [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 71830050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).