N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

C57H62FN9O5 — CID 177301844

About N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (PubChem CID 177301844) has the molecular formula C57H62FN9O5 and a molecular weight of 972.18 g/mol. Its IUPAC name is N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
• PubChem CID: 177301844
• Molecular Formula: C57H62FN9O5
• Molecular Weight: 972.18 g/mol
• Exact Mass: 971.49
• IUPAC Name: N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
• SMILES: CNc1ccn(-c2ccnc3c2cc([C@H](C)N2CC=C(c4c(C)cc(C(=O)N(C)c5ccc(C6CCN(Cc7ccc8c(c7)C(C)(C)C(=O)N8C7CCC(=O)NC7=O)CC6)cc5)cc4F)CC2)n3C)c(=O)c1
• InChI: InChI=1S/C57H62FN9O5/c1-34-28-40(30-45(58)52(34)39-19-25-65(26-20-39)35(2)49-32-43-46(16-22-60-53(43)63(49)7)66-27-21-41(59-5)31-51(66)69)55(71)62(6)42-11-9-37(10-12-42)38-17-23-64(24-18-38)33-36-8-13-47-44(29-36)57(3,4)56(72)67(47)48-14-15-50(68)61-54(48)70/h8-13,16,19,21-22,27-32,35,38,48,59H,14-15,17-18,20,23-26,33H2,1-7H3,(H,61,68,70)/t35-,48?/m0/s1
• InChIKey: BYRGXFYYALMBBM-MFOOFJEWSA-N
• XLogP: 8.15
• TPSA: 145.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	972.18
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The IUPAC name of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (CID 177301844) is N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

What is the SMILES notation for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The canonical SMILES for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is CNc1ccn(-c2ccnc3c2cc([C@H](C)N2CC=C(c4c(C)cc(C(=O)N(C)c5ccc(C6CCN(Cc7ccc8c(c7)C(C)(C)C(=O)N8C7CCC(=O)NC7=O)CC6)cc5)cc4F)CC2)n3C)c(=O)c1.

What is the InChIKey of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The InChIKey is BYRGXFYYALMBBM-MFOOFJEWSA-N. The full InChI is InChI=1S/C57H62FN9O5/c1-34-28-40(30-45(58)52(34)39-19-25-65(26-20-39)35(2)49-32-43-46(16-22-60-53(43)63(49)7)66-27-21-41(59-5)31-51(66)69)55(71)62(6)42-11-9-37(10-12-42)38-17-23-64(24-18-38)33-36-8-13-47-44(29-36)57(3,4)56(72)67(47)48-14-15-50(68)61-54(48)70/h8-13,16,19,21-22,27-32,35,38,48,59H,14-15,17-18,20,23-26,33H2,1-7H3,(H,61,68,70)/t35-,48?/m0/s1.

What are the key properties of N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide has a molecular weight of 972.18 g/mol, XLogP of 8.15, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-5-yl]methyl]piperidin-4-yl]phenyl]-3-fluoro-N,5-dimethyl-4-[1-[(1S)-1-[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is sourced from PubChem (CID 177301844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).