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

C17H22N6O — CID 71836267

IUPAC[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C17H22N6O/c1-22-15(7-8-20-22)17(24)23-9-3-4-12(10-23)21-16-13-5-2-6-14(13)18-11-19-16/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,21)
InChIKeyKHNDFRFRSYAXBO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.42
Rot. Bonds3

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

[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 71836267) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID71836267
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C17H22N6O/c1-22-15(7-8-20-22)17(24)23-9-3-4-12(10-23)21-16-13-5-2-6-14(13)18-11-19-16/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,21)
InChIKeyKHNDFRFRSYAXBO-UHFFFAOYSA-N
XLogP1.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 71836267) is [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCC(Nc2ncnc3c2CCC3)C1.
What is the InChIKey of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is KHNDFRFRSYAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-15(7-8-20-22)17(24)23-9-3-4-12(10-23)21-16-13-5-2-6-14(13)18-11-19-16/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19,21).
What are the key properties of [3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.42, 3 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]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 71836267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).