tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate

C35H48N8O5 — CID 163663620

About tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate

tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate (PubChem CID 163663620) has the molecular formula C35H48N8O5 and a molecular weight of 660.82 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate
• PubChem CID: 163663620
• Molecular Formula: C35H48N8O5
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.37
• IUPAC Name: tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate
• SMILES: CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)CN(C)CCNC(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C35H48N8O5/c1-23-28-21-38-29(39-32(28)43(26-9-7-8-10-26)33(46)31(23)24(2)44)19-25-11-12-27(20-37-25)41-15-17-42(18-16-41)30(45)22-40(6)14-13-36-34(47)48-35(3,4)5/h11-12,20-21,26H,7-10,13-19,22H2,1-6H3,(H,36,47)
• InChIKey: ZPCSMFZUBPAOKY-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 142.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate (CID 163663620) is tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate is CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)CN(C)CCNC(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate?

The InChIKey is ZPCSMFZUBPAOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N8O5/c1-23-28-21-38-29(39-32(28)43(26-9-7-8-10-26)33(46)31(23)24(2)44)19-25-11-12-27(20-37-25)41-15-17-42(18-16-41)30(45)22-40(6)14-13-36-34(47)48-35(3,4)5/h11-12,20-21,26H,7-10,13-19,22H2,1-6H3,(H,36,47).

What are the key properties of tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate?

tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate has a molecular weight of 660.82 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethyl]-methylamino]ethyl]carbamate is sourced from PubChem (CID 163663620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).