N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C38H36F3N9O6 — CID 176816675

IUPACN-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)nc4F)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C38H36F3N9O6/c1-19-34(52)46-32-25(42-19)3-2-20(31(32)40)18-47-12-14-49(15-13-47)27-5-4-26(44-33(27)41)35(53)43-21-8-10-48(11-9-21)29-17-23-22(16-24(29)39)37(55)50(38(23)56)28-6-7-30(51)45-36(28)54/h2-5,16-17,21,28H,6-15,18H2,1H3,(H,43,53)(H,46,52)(H,45,51,54)/t28-/m0/s1
InChIKeyXDQZWAIHXNVRPK-NDEPHWFRSA-N
MW771.76 g/mol
LogP2.17
Rot. Bonds7

About N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176816675) has the molecular formula C38H36F3N9O6 and a molecular weight of 771.76 g/mol. Its IUPAC name is N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176816675
Molecular FormulaC38H36F3N9O6
Molecular Weight771.76 g/mol
Exact Mass771.27
IUPAC NameN-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)nc4F)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C38H36F3N9O6/c1-19-34(52)46-32-25(42-19)3-2-20(31(32)40)18-47-12-14-49(15-13-47)27-5-4-26(44-33(27)41)35(53)43-21-8-10-48(11-9-21)29-17-23-22(16-24(29)39)37(55)50(38(23)56)28-6-7-30(51)45-36(28)54/h2-5,16-17,21,28H,6-15,18H2,1H3,(H,43,53)(H,46,52)(H,45,51,54)/t28-/m0/s1
InChIKeyXDQZWAIHXNVRPK-NDEPHWFRSA-N
XLogP2.17
TPSA181.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.76
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
N-cyclopropyl-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169110858
6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 178131995
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
N-cyclopropyl-6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110746
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
N-cyclopropyl-6-fluoro-5-[4-[(6-fluoro-4-oxo-5H-imidazo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169265983
N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110832
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
N-cyclohexyl-6-[4-[[(1R,5S)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 155218816
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
6-fluoro-5-[4-[(6-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982748

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176816675) is N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is Cc1nc2ccc(CN3CCN(c4ccc(C(=O)NC5CCN(c6cc7c(cc6F)C(=O)N([C@H]6CCC(=O)NC6=O)C7=O)CC5)nc4F)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is XDQZWAIHXNVRPK-NDEPHWFRSA-N. The full InChI is InChI=1S/C38H36F3N9O6/c1-19-34(52)46-32-25(42-19)3-2-20(31(32)40)18-47-12-14-49(15-13-47)27-5-4-26(44-33(27)41)35(53)43-21-8-10-48(11-9-21)29-17-23-22(16-24(29)39)37(55)50(38(23)56)28-6-7-30(51)45-36(28)54/h2-5,16-17,21,28H,6-15,18H2,1H3,(H,43,53)(H,46,52)(H,45,51,54)/t28-/m0/s1.
What are the key properties of N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 771.76 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176816675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).