4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

About 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 163488021) has the molecular formula C42H45N9O8 and a molecular weight of 803.88 g/mol. Its IUPAC name is 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name	4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID	163488021
Molecular Formula	C42H45N9O8
Molecular Weight	803.88 g/mol
Exact Mass	803.34
IUPAC Name	4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
InChI	InChI=1S/C42H45N9O8/c1-24-30-22-44-42(47-37(30)50(26-7-3-4-8-26)40(57)35(24)25(2)52)45-33-14-12-27(21-43-33)49-19-17-48(18-20-49)16-6-9-28(53)23-59-32-11-5-10-29-36(32)41(58)51(39(29)56)31-13-15-34(54)46-38(31)55/h5,10-12,14,21-22,26,31H,3-4,6-9,13,15-20,23H2,1-2H3,(H,46,54,55)(H,43,44,45,47)
InChIKey	CKFLGESEJQXLKZ-UHFFFAOYSA-N
XLogP	3.51
TPSA	206.10 Å²
H-Bond Donors	2
H-Bond Acceptors	15
Rotatable Bonds	13
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.88
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 163488021) is 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is CKFLGESEJQXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N9O8/c1-24-30-22-44-42(47-37(30)50(26-7-3-4-8-26)40(57)35(24)25(2)52)45-33-14-12-27(21-43-33)49-19-17-48(18-20-49)16-6-9-28(53)23-59-32-11-5-10-29-36(32)41(58)51(39(29)56)31-13-15-34(54)46-38(31)55/h5,10-12,14,21-22,26,31H,3-4,6-9,13,15-20,23H2,1-2H3,(H,46,54,55)(H,43,44,45,47).

What are the key properties of 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 803.88 g/mol, XLogP of 3.51, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 163488021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).