N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C42H49Cl2N5O5 — CID 177340483

About N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 177340483) has the molecular formula C42H49Cl2N5O5 and a molecular weight of 774.79 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 177340483
• Molecular Formula: C42H49Cl2N5O5
• Molecular Weight: 774.79 g/mol
• Exact Mass: 773.31
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCC1CCC(CC)(CCC(CC)C2CCc3cc(-c4cccc(-c5cccc(NC(=O)c6cn(C)c(=O)n(C)c6=O)c5Cl)c4Cl)nc(OC)c32)NC1=O
• InChI: InChI=1S/C42H49Cl2N5O5/c1-7-24(18-20-42(9-3)21-19-25(8-2)37(50)47-42)27-17-16-26-22-33(46-39(54-6)34(26)27)30-14-10-12-28(35(30)43)29-13-11-15-32(36(29)44)45-38(51)31-23-48(4)41(53)49(5)40(31)52/h10-15,22-25,27H,7-9,16-21H2,1-6H3,(H,45,51)(H,47,50)
• InChIKey: DYQKAAWZZGHWTH-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 124.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.79
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 177340483) is N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is CCC1CCC(CC)(CCC(CC)C2CCc3cc(-c4cccc(-c5cccc(NC(=O)c6cn(C)c(=O)n(C)c6=O)c5Cl)c4Cl)nc(OC)c32)NC1=O.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is DYQKAAWZZGHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49Cl2N5O5/c1-7-24(18-20-42(9-3)21-19-25(8-2)37(50)47-42)27-17-16-26-22-33(46-39(54-6)34(26)27)30-14-10-12-28(35(30)43)29-13-11-15-32(36(29)44)45-38(51)31-23-48(4)41(53)49(5)40(31)52/h10-15,22-25,27H,7-9,16-21H2,1-6H3,(H,45,51)(H,47,50).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?

N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 774.79 g/mol, XLogP of 8.30, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[7-[1-(2,5-diethyl-6-oxopiperidin-2-yl)pentan-3-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 177340483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).