(4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone

C25H37N7O — CID 129114616

About (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone

(4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone (PubChem CID 129114616) has the molecular formula C25H37N7O and a molecular weight of 451.62 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

• Compound Name: (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone
• PubChem CID: 129114616
• Molecular Formula: C25H37N7O
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.31
• IUPAC Name: (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone
• SMILES: CC(C)c1cnc(Nc2nc(N3CCC[C@@H]3C(=O)N3CCC(C)(C)CC3)nc3c2CCC3)[nH]1
• InChI: InChI=1S/C25H37N7O/c1-16(2)19-15-26-23(27-19)29-21-17-7-5-8-18(17)28-24(30-21)32-12-6-9-20(32)22(33)31-13-10-25(3,4)11-14-31/h15-16,20H,5-14H2,1-4H3,(H2,26,27,28,29,30)/t20-/m1/s1
• InChIKey: WPGUDOGGAVQDOC-HXUWFJFHSA-N
• XLogP: 4.17
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The IUPAC name of (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone (CID 129114616) is (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone.

What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone is CC(C)c1cnc(Nc2nc(N3CCC[C@@H]3C(=O)N3CCC(C)(C)CC3)nc3c2CCC3)[nH]1.

What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

The InChIKey is WPGUDOGGAVQDOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H37N7O/c1-16(2)19-15-26-23(27-19)29-21-17-7-5-8-18(17)28-24(30-21)32-12-6-9-20(32)22(33)31-13-10-25(3,4)11-14-31/h15-16,20H,5-14H2,1-4H3,(H2,26,27,28,29,30)/t20-/m1/s1.

What are the key properties of (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone?

(4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone has a molecular weight of 451.62 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-dimethylpiperidin-1-yl)-[(2R)-1-[4-[(5-propan-2-yl-1H-imidazol-2-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129114616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).