[1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

C24H35N7O — CID 90258874

About [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone

[1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 90258874) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 90258874
• Molecular Formula: C24H35N7O
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.29
• IUPAC Name: [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
• SMILES: CC(C)c1cnc(Nc2nc(N3CCCC3C(=O)N3CCCCC3)nc3c2CCC3)n1C
• InChI: InChI=1S/C24H35N7O/c1-16(2)20-15-25-23(29(20)3)27-21-17-9-7-10-18(17)26-24(28-21)31-14-8-11-19(31)22(32)30-12-5-4-6-13-30/h15-16,19H,4-14H2,1-3H3,(H,25,26,27,28)
• InChIKey: CUMKIHPCMWKTFW-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 90258874) is [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone.

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

The canonical SMILES for [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is CC(C)c1cnc(Nc2nc(N3CCCC3C(=O)N3CCCCC3)nc3c2CCC3)n1C.

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

The InChIKey is CUMKIHPCMWKTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O/c1-16(2)20-15-25-23(29(20)3)27-21-17-9-7-10-18(17)26-24(28-21)31-14-8-11-19(31)22(32)30-12-5-4-6-13-30/h15-16,19H,4-14H2,1-3H3,(H,25,26,27,28).

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

[1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 437.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(1-methyl-5-propan-2-ylimidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 90258874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).