3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione

C58H69FN8O5 — CID 177356634

IUPAC3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione
SMILESCNc1ccn(-c2ccnc3c2C=C(CN2CC=C(c4c(C)cc(C(=O)N5CCC(CN6CCCC(Cc7ccc8c(c7)C(C)(C)C(=O)N8C7CCC(=O)NC7=O)C[C@@H]6C)CC5)cc4F)CC2)C3C)c(=O)c1
InChIInChI=1S/C58H69FN8O5/c1-35-26-42(31-47(59)53(35)41-16-21-63(22-17-41)34-43-30-45-48(13-19-61-54(45)37(43)3)66-25-18-44(60-6)32-52(66)69)56(71)64-23-14-38(15-24-64)33-65-20-7-8-39(27-36(65)2)28-40-9-10-49-46(29-40)58(4,5)57(72)67(49)50-11-12-51(68)62-55(50)70/h9-10,13,16,18-19,25-26,29-32,36-39,50,60H,7-8,11-12,14-15,17,20-24,27-28,33-34H2,1-6H3,(H,62,68,70)/t36-,37?,39?,50?/m0/s1
InChIKeyXMIGWIVMEUKOOO-VXBATGSLSA-N
MW977.24 g/mol
LogP8.03
Rot. Bonds11

About 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione

3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione (PubChem CID 177356634) has the molecular formula C58H69FN8O5 and a molecular weight of 977.24 g/mol. Its IUPAC name is 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione
PubChem CID177356634
Molecular FormulaC58H69FN8O5
Molecular Weight977.24 g/mol
Exact Mass976.54
IUPAC Name3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione
SMILESCNc1ccn(-c2ccnc3c2C=C(CN2CC=C(c4c(C)cc(C(=O)N5CCC(CN6CCCC(Cc7ccc8c(c7)C(C)(C)C(=O)N8C7CCC(=O)NC7=O)C[C@@H]6C)CC5)cc4F)CC2)C3C)c(=O)c1
InChIInChI=1S/C58H69FN8O5/c1-35-26-42(31-47(59)53(35)41-16-21-63(22-17-41)34-43-30-45-48(13-19-61-54(45)37(43)3)66-25-18-44(60-6)32-52(66)69)56(71)64-23-14-38(15-24-64)33-65-20-7-8-39(27-36(65)2)28-40-9-10-49-46(29-40)58(4,5)57(72)67(49)50-11-12-51(68)62-55(50)70/h9-10,13,16,18-19,25-26,29-32,36-39,50,60H,7-8,11-12,14-15,17,20-24,27-28,33-34H2,1-6H3,(H,62,68,70)/t36-,37?,39?,50?/m0/s1
InChIKeyXMIGWIVMEUKOOO-VXBATGSLSA-N
XLogP8.03
TPSA140.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.24
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione (CID 177356634) is 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione is CNc1ccn(-c2ccnc3c2C=C(CN2CC=C(c4c(C)cc(C(=O)N5CCC(CN6CCCC(Cc7ccc8c(c7)C(C)(C)C(=O)N8C7CCC(=O)NC7=O)C[C@@H]6C)CC5)cc4F)CC2)C3C)c(=O)c1.
What is the InChIKey of 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The InChIKey is XMIGWIVMEUKOOO-VXBATGSLSA-N. The full InChI is InChI=1S/C58H69FN8O5/c1-35-26-42(31-47(59)53(35)41-16-21-63(22-17-41)34-43-30-45-48(13-19-61-54(45)37(43)3)66-25-18-44(60-6)32-52(66)69)56(71)64-23-14-38(15-24-64)33-65-20-7-8-39(27-36(65)2)28-40-9-10-49-46(29-40)58(4,5)57(72)67(49)50-11-12-51(68)62-55(50)70/h9-10,13,16,18-19,25-26,29-32,36-39,50,60H,7-8,11-12,14-15,17,20-24,27-28,33-34H2,1-6H3,(H,62,68,70)/t36-,37?,39?,50?/m0/s1.
What are the key properties of 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione?
3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione has a molecular weight of 977.24 g/mol, XLogP of 8.03, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2S)-1-[[1-[3-fluoro-5-methyl-4-[1-[[7-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]-7H-cyclopenta[b]pyridin-6-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]-2-methylazepan-4-yl]methyl]-3,3-dimethyl-2-oxoindol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177356634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).