(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C46H56N14O5 — CID 158572334

About (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158572334) has the molecular formula C46H56N14O5 and a molecular weight of 885.05 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 158572334
• Molecular Formula: C46H56N14O5
• Molecular Weight: 885.05 g/mol
• Exact Mass: 884.46
• IUPAC Name: (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: CC(=O)N1CCN(c2ccc(-c3cc4ncn(C)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)nc2)CC1.C[C@@H](Oc1nc(-c2ccc(N3CCNCC3)cn2)cc2ncn(C)c12)[C@H]1CNC(=O)C1
• InChI: InChI=1S/C24H29N7O3.C22H27N7O2/c1-15(17-10-22(33)26-12-17)34-24-23-21(27-14-29(23)3)11-20(28-24)19-5-4-18(13-25-19)31-8-6-30(7-9-31)16(2)32;1-14(15-9-20(30)25-11-15)31-22-21-19(26-13-28(21)2)10-18(27-22)17-4-3-16(12-24-17)29-7-5-23-6-8-29/h4-5,11,13-15,17H,6-10,12H2,1-3H3,(H,26,33);3-4,10,12-15,23H,5-9,11H2,1-2H3,(H,25,30)/t15-,17-;14-,15-/m11/s1
• InChIKey: HSFTVAIIYVJSPL-UZWAGHJASA-N
• XLogP: 2.95
• TPSA: 202.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.05
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 158572334) is (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(=O)N1CCN(c2ccc(-c3cc4ncn(C)c4c(O[C@H](C)[C@H]4CNC(=O)C4)n3)nc2)CC1.C[C@@H](Oc1nc(-c2ccc(N3CCNCC3)cn2)cc2ncn(C)c12)[C@H]1CNC(=O)C1.

What is the InChIKey of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is HSFTVAIIYVJSPL-UZWAGHJASA-N. The full InChI is InChI=1S/C24H29N7O3.C22H27N7O2/c1-15(17-10-22(33)26-12-17)34-24-23-21(27-14-29(23)3)11-20(28-24)19-5-4-18(13-25-19)31-8-6-30(7-9-31)16(2)32;1-14(15-9-20(30)25-11-15)31-22-21-19(26-13-28(21)2)10-18(27-22)17-4-3-16(12-24-17)29-7-5-23-6-8-29/h4-5,11,13-15,17H,6-10,12H2,1-3H3,(H,26,33);3-4,10,12-15,23H,5-9,11H2,1-2H3,(H,25,30)/t15-,17-;14-,15-/m11/s1.

What are the key properties of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 885.05 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158572334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).