bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine

C102H131BBr3N15O13S2 — CID 159416606

IUPACbis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
SMILESBrc1cnc2c(c1)C(C1=CCNCC1)=CC2.Brc1cnc2c(c1)C(C1=CCNCC1)=CC2.CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(-c4ccc(CN5CCOCC5)s4)cc32)CC1.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H36N4O2S.C19H24BrN3O.C15H24BNO3S.2C13H13BrN2.C9H8N2O7.C5H13N/c1-3-22(4-2)30-28(33)32-11-9-20(10-12-32)24-6-7-26-25(24)17-21(18-29-26)27-8-5-23(35-27)19-31-13-15-34-16-14-31;1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17;2*14-10-7-12-11(1-2-13(12)16-8-10)9-3-5-15-6-4-9;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;1-3-5(6)4-2/h5-6,8-9,17-18,22H,3-4,7,10-16,19H2,1-2H3,(H,30,33);5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5-6H,7-11H2,1-4H3;2*1,3,7-8,15H,2,4-6H2;1-4H2;5H,3-4,6H2,1-2H3
InChIKeyLPFWKMFDKJDLSI-UHFFFAOYSA-N
MW2089.92 g/mol
LogP17.11
Rot. Bonds20

About bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine

bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine (PubChem CID 159416606) has the molecular formula C102H131BBr3N15O13S2 and a molecular weight of 2089.92 g/mol. Its IUPAC name is bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Namebis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
PubChem CID159416606
Molecular FormulaC102H131BBr3N15O13S2
Molecular Weight2089.92 g/mol
Exact Mass2085.71
IUPAC Namebis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
SMILESBrc1cnc2c(c1)C(C1=CCNCC1)=CC2.Brc1cnc2c(c1)C(C1=CCNCC1)=CC2.CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(-c4ccc(CN5CCOCC5)s4)cc32)CC1.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C28H36N4O2S.C19H24BrN3O.C15H24BNO3S.2C13H13BrN2.C9H8N2O7.C5H13N/c1-3-22(4-2)30-28(33)32-11-9-20(10-12-32)24-6-7-26-25(24)17-21(18-29-26)27-8-5-23(35-27)19-31-13-15-34-16-14-31;1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17;2*14-10-7-12-11(1-2-13(12)16-8-10)9-3-5-15-6-4-9;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;1-3-5(6)4-2/h5-6,8-9,17-18,22H,3-4,7,10-16,19H2,1-2H3,(H,30,33);5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5-6H,7-11H2,1-4H3;2*1,3,7-8,15H,2,4-6H2;1-4H2;5H,3-4,6H2,1-2H3
InChIKeyLPFWKMFDKJDLSI-UHFFFAOYSA-N
XLogP17.11
TPSA320.01 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002089.92
LogP ≤ 517.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-(2-amino-3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-2-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-oxido-7H-cyclopenta[b]pyridin-1-ium;3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-2-amine;tert-butyl 4-(2-amino-3-bromo-7H-cyclopenta[b]pyridin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;cyclopentyl cyanate;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine;hydrochloride
CID 160500988

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine (CID 159416606) is bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine is Brc1cnc2c(c1)C(C1=CCNCC1)=CC2.Brc1cnc2c(c1)C(C1=CCNCC1)=CC2.CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(-c4ccc(CN5CCOCC5)s4)cc32)CC1.CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?
The InChIKey is LPFWKMFDKJDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2S.C19H24BrN3O.C15H24BNO3S.2C13H13BrN2.C9H8N2O7.C5H13N/c1-3-22(4-2)30-28(33)32-11-9-20(10-12-32)24-6-7-26-25(24)17-21(18-29-26)27-8-5-23(35-27)19-31-13-15-34-16-14-31;1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17;2*14-10-7-12-11(1-2-13(12)16-8-10)9-3-5-15-6-4-9;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15;1-3-5(6)4-2/h5-6,8-9,17-18,22H,3-4,7,10-16,19H2,1-2H3,(H,30,33);5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5-6H,7-11H2,1-4H3;2*1,3,7-8,15H,2,4-6H2;1-4H2;5H,3-4,6H2,1-2H3.
What are the key properties of bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine?
bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine has a molecular weight of 2089.92 g/mol, XLogP of 17.11, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxopyrrolidin-1-yl) carbonate;4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;bis(3-bromo-5-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridine);4-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7H-cyclopenta[b]pyridin-5-yl]-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine;4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 159416606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).