[(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

C26H37N7O — CID 118915792

About [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 118915792) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 118915792
• Molecular Formula: C26H37N7O
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.31
• IUPAC Name: [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
• SMILES: Cn1c(C2CCCC2)cnc1Nc1nc(N2CCC[C@H]2C(=O)N2CCCCC2)nc2c1CCC2
• InChI: InChI=1S/C26H37N7O/c1-31-22(18-9-3-4-10-18)17-27-25(31)29-23-19-11-7-12-20(19)28-26(30-23)33-16-8-13-21(33)24(34)32-14-5-2-6-15-32/h17-18,21H,2-16H2,1H3,(H,27,28,29,30)/t21-/m0/s1
• InChIKey: KSXUVZUFNNMMHE-NRFANRHFSA-N
• XLogP: 4.08
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 118915792) is [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is Cn1c(C2CCCC2)cnc1Nc1nc(N2CCC[C@H]2C(=O)N2CCCCC2)nc2c1CCC2.

What is the InChIKey of [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?

The InChIKey is KSXUVZUFNNMMHE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H37N7O/c1-31-22(18-9-3-4-10-18)17-27-25(31)29-23-19-11-7-12-20(19)28-26(30-23)33-16-8-13-21(33)24(34)32-14-5-2-6-15-32/h17-18,21H,2-16H2,1H3,(H,27,28,29,30)/t21-/m0/s1.

What are the key properties of [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone?

[(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 463.63 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[4-[(5-cyclopentyl-1-methylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118915792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).