[4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide

C50H53F3N11O4- — CID 177355784

About [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide

[4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide (PubChem CID 177355784) has the molecular formula C50H53F3N11O4- and a molecular weight of 929.04 g/mol. Its IUPAC name is [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide.

Molecular Properties

• Compound Name: [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide
• PubChem CID: 177355784
• Molecular Formula: C50H53F3N11O4-
• Molecular Weight: 929.04 g/mol
• Exact Mass: 928.42
• IUPAC Name: [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide
• SMILES: CNc1ccn(-c2ccnc3c2cc(CN2CCC(c4c(F)cc(C(=O)N5CCn6nc(CN7CCC(c8ccc([N-]C9CCC(=O)NC9=O)cc8F)CC7)cc6C5)cc4F)CC2)n3C)c(=O)c1
• InChI: InChI=1S/C50H53F3N11O4/c1-54-33-12-18-63(46(66)25-33)44-7-13-55-48-39(44)26-36(59(48)2)28-61-16-10-31(11-17-61)47-41(52)21-32(22-42(47)53)50(68)62-19-20-64-37(29-62)23-35(58-64)27-60-14-8-30(9-15-60)38-4-3-34(24-40(38)51)56-43-5-6-45(65)57-49(43)67/h3-4,7,12-13,18,21-26,30-31,43H,5-6,8-11,14-17,19-20,27-29H2,1-2H3,(H,54,66)(H,57,65,67)/q-1
• InChIKey: OJDIKWLYNDPQQW-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 156.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.04
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide?

The IUPAC name of [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide (CID 177355784) is [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide.

What is the SMILES notation for [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide?

The canonical SMILES for [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide is CNc1ccn(-c2ccnc3c2cc(CN2CCC(c4c(F)cc(C(=O)N5CCn6nc(CN7CCC(c8ccc([N-]C9CCC(=O)NC9=O)cc8F)CC7)cc6C5)cc4F)CC2)n3C)c(=O)c1.

What is the InChIKey of [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide?

The InChIKey is OJDIKWLYNDPQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53F3N11O4/c1-54-33-12-18-63(46(66)25-33)44-7-13-55-48-39(44)26-36(59(48)2)28-61-16-10-31(11-17-61)47-41(52)21-32(22-42(47)53)50(68)62-19-20-64-37(29-62)23-35(58-64)27-60-14-8-30(9-15-60)38-4-3-34(24-40(38)51)56-43-5-6-45(65)57-49(43)67/h3-4,7,12-13,18,21-26,30-31,43H,5-6,8-11,14-17,19-20,27-29H2,1-2H3,(H,54,66)(H,57,65,67)/q-1.

What are the key properties of [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide?

[4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide has a molecular weight of 929.04 g/mol, XLogP of 6.61, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[[5-[3,5-difluoro-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]piperidin-4-yl]-3-fluorophenyl]-(2,6-dioxopiperidin-3-yl)azanide is sourced from PubChem (CID 177355784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).