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

C17H22N6O — CID 71836279

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c1-22-15(5-8-20-22)17(24)23-9-6-12(7-10-23)21-16-13-3-2-4-14(13)18-11-19-16/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyDLLHSXGQFFNBIX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.42
Rot. Bonds3

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

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 71836279) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID71836279
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c1-22-15(5-8-20-22)17(24)23-9-6-12(7-10-23)21-16-13-3-2-4-14(13)18-11-19-16/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyDLLHSXGQFFNBIX-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

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

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Related Compounds

N-[4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 157049302
US10093651, Example 2
CID 122632282
US10227310, Example 66
CID 122635443
N-[(2S)-1-[4-[2-(2,4-diamino-6-chloropyrimidin-5-yl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-3-carboxamide
CID 162645924
N-[4-[(7R)-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 168286255
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1,5-dimethyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298623
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-4-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873885
US10022354, Example 197
CID 121279738
1-Cyclopentyl-3-ethyl-6-pyridin-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10757343
N-methyl-6-[(5-methyl-1H-pyrazol-1-yl)acetyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72870385
US9777000, Example 2.16
CID 90383193
6-methyl-2-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 46974832

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 71836279) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is DLLHSXGQFFNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-15(5-8-20-22)17(24)23-9-6-12(7-10-23)21-16-13-3-2-4-14(13)18-11-19-16/h5,8,11-12H,2-4,6-7,9-10H2,1H3,(H,18,19,21).
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(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 [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 71836279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).