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

C44H54ClN5O5 — CID 177340456

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

N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 177340456) has the molecular formula C44H54ClN5O5 and a molecular weight of 768.40 g/mol. Its IUPAC name is N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 177340456
• Molecular Formula: C44H54ClN5O5
• Molecular Weight: 768.40 g/mol
• Exact Mass: 767.38
• IUPAC Name: N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCC(CCC1(CC)CCC(CC)C(=O)N1)CC1CCc2cc(-c3cccc(-c4cccc(NC(=O)c5cn(C)c(=O)n(C)c5=O)c4C)c3Cl)nc(OC)c21
• InChI: InChI=1S/C44H54ClN5O5/c1-8-27(19-21-44(10-3)22-20-28(9-2)39(51)48-44)23-29-17-18-30-24-36(47-41(55-7)37(29)30)33-15-11-14-32(38(33)45)31-13-12-16-35(26(31)4)46-40(52)34-25-49(5)43(54)50(6)42(34)53/h11-16,24-25,27-29H,8-10,17-23H2,1-7H3,(H,46,52)(H,48,51)
• InChIKey: ABVMXELKMWNNHQ-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 124.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.40
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 177340456) is N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is CCC(CCC1(CC)CCC(CC)C(=O)N1)CC1CCc2cc(-c3cccc(-c4cccc(NC(=O)c5cn(C)c(=O)n(C)c5=O)c4C)c3Cl)nc(OC)c21.

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

The InChIKey is ABVMXELKMWNNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54ClN5O5/c1-8-27(19-21-44(10-3)22-20-28(9-2)39(51)48-44)23-29-17-18-30-24-36(47-41(55-7)37(29)30)33-15-11-14-32(38(33)45)31-13-12-16-35(26(31)4)46-40(52)34-25-49(5)43(54)50(6)42(34)53/h11-16,24-25,27-29H,8-10,17-23H2,1-7H3,(H,46,52)(H,48,51).

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

N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 768.40 g/mol, XLogP of 8.35, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-[7-[4-(2,5-diethyl-6-oxopiperidin-2-yl)-2-ethylbutyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 177340456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).