tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate

C29H30Cl2N6O4 — CID 175951418

About tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate (PubChem CID 175951418) has the molecular formula C29H30Cl2N6O4 and a molecular weight of 597.50 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate
• PubChem CID: 175951418
• Molecular Formula: C29H30Cl2N6O4
• Molecular Weight: 597.50 g/mol
• Exact Mass: 596.17
• IUPAC Name: tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate
• SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(O[C@@H]4CC[C@@H](NC(=O)OC(C)(C)C)C4)cn3)nc21
• InChI: InChI=1S/C29H30Cl2N6O4/c1-29(2,3)41-28(39)34-17-8-9-18(13-17)40-19-10-11-23(32-15-19)35-27-33-14-16-12-20(26(38)37(4)25(16)36-27)24-21(30)6-5-7-22(24)31/h5-7,10-12,14-15,17-18H,8-9,13H2,1-4H3,(H,34,39)(H,32,33,35,36)/t17-,18-/m1/s1
• InChIKey: SUYZIFYDTZHZCY-QZTJIDSGSA-N
• XLogP: 6.27
• TPSA: 120.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.50
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate?

The IUPAC name of tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate (CID 175951418) is tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(O[C@@H]4CC[C@@H](NC(=O)OC(C)(C)C)C4)cn3)nc21.

What is the InChIKey of tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate?

The InChIKey is SUYZIFYDTZHZCY-QZTJIDSGSA-N. The full InChI is InChI=1S/C29H30Cl2N6O4/c1-29(2,3)41-28(39)34-17-8-9-18(13-17)40-19-10-11-23(32-15-19)35-27-33-14-16-12-20(26(38)37(4)25(16)36-27)24-21(30)6-5-7-22(24)31/h5-7,10-12,14-15,17-18H,8-9,13H2,1-4H3,(H,34,39)(H,32,33,35,36)/t17-,18-/m1/s1.

What are the key properties of tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate?

tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate has a molecular weight of 597.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R,3R)-3-[[6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]cyclopentyl]carbamate is sourced from PubChem (CID 175951418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).