6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione

C47H44N10O7 — CID 164948359

About 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione

6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione (PubChem CID 164948359) has the molecular formula C47H44N10O7 and a molecular weight of 860.93 g/mol. Its IUPAC name is 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione.

Molecular Properties

• Compound Name: 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione
• PubChem CID: 164948359
• Molecular Formula: C47H44N10O7
• Molecular Weight: 860.93 g/mol
• Exact Mass: 860.34
• IUPAC Name: 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione
• SMILES: CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)c5ccc6c(c5)/N=N\c5cc7c(cc5CC6)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C47H44N10O7/c1-25-35-24-49-39(50-42(35)56(31-5-3-4-6-31)47(64)41(25)26(2)58)21-30-11-12-32(23-48-30)54-15-17-55(18-16-54)44(61)29-10-8-27-7-9-28-19-33-34(22-37(28)53-52-36(27)20-29)46(63)57(45(33)62)38-13-14-40(59)51-43(38)60/h8,10-12,19-20,22-24,31,38H,3-7,9,13-18,21H2,1-2H3,(H,51,59,60)/b53-52-
• InChIKey: QYQDRCMZBDYXDF-BBCRLRBNSA-N
• XLogP: 5.28
• TPSA: 209.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.93
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione?

The IUPAC name of 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione (CID 164948359) is 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione.

What is the SMILES notation for 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione?

The canonical SMILES for 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione is CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)c5ccc6c(c5)/N=N\c5cc7c(cc5CC6)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione?

The InChIKey is QYQDRCMZBDYXDF-BBCRLRBNSA-N. The full InChI is InChI=1S/C47H44N10O7/c1-25-35-24-49-39(50-42(35)56(31-5-3-4-6-31)47(64)41(25)26(2)58)21-30-11-12-32(23-48-30)54-15-17-55(18-16-54)44(61)29-10-8-27-7-9-28-19-33-34(22-37(28)53-52-36(27)20-29)46(63)57(45(33)62)38-13-14-40(59)51-43(38)60/h8,10-12,19-20,22-24,31,38H,3-7,9,13-18,21H2,1-2H3,(H,51,59,60)/b53-52-.

What are the key properties of 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione?

6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione has a molecular weight of 860.93 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazine-1-carbonyl]-16-(2,6-dioxopiperidin-3-yl)-2,3,16-triazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),2,4(9),5,7,12,14(18)-heptaene-15,17-dione is sourced from PubChem (CID 164948359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).