bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde

C72H78Cl6I54N14O11 — CID 167710078

IUPACbis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde
SMILESCCOC(=O)c1c2c(nn1CCCN)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(c1ccc(Cl)c(Cl)c1)N1CCc2nn3c(c2C1)C(=O)N(Cc1ccncc1)CCC3.O=Cc1ccncc1
InChIInChI=1S/C24H30Cl2N4O5.C23H21Cl2N5O2.C19H22Cl2N4O3.C6H5NO.I28.I26/c1-5-34-22(32)20-16-14-29(21(31)15-7-8-17(25)18(26)13-15)12-9-19(16)28-30(20)11-6-10-27-23(33)35-24(2,3)4;24-18-3-2-16(12-19(18)25)22(31)29-11-6-20-17(14-29)21-23(32)28(9-1-10-30(21)27-20)13-15-4-7-26-8-5-15;1-2-28-19(27)17-13-11-24(9-6-16(13)23-25(17)8-3-7-22)18(26)12-4-5-14(20)15(21)10-12;8-5-6-1-3-7-4-2-6;1-16(2)18(5)20(7)22(9)24(11)26(13)28(15)27(14)25(12)23(10)21(8)19(6)17(3)4;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,27,33);2-5,7-8,12H,1,6,9-11,13-14H2;4-5,10H,2-3,6-9,11,22H2,1H3;1-5H;;
InChIKeyZRRXSUXAGHYVAA-UHFFFAOYSA-N
MW8381.04 g/mol
LogP59.95
Rot. Bonds40

About bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde

bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde (PubChem CID 167710078) has the molecular formula C72H78Cl6I54N14O11 and a molecular weight of 8381.04 g/mol. Its IUPAC name is bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde.

Molecular Properties

Compound Namebis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde
PubChem CID167710078
Molecular FormulaC72H78Cl6I54N14O11
Molecular Weight8381.04 g/mol
Exact Mass8377.25
IUPAC Namebis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde
SMILESCCOC(=O)c1c2c(nn1CCCN)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(c1ccc(Cl)c(Cl)c1)N1CCc2nn3c(c2C1)C(=O)N(Cc1ccncc1)CCC3.O=Cc1ccncc1
InChIInChI=1S/C24H30Cl2N4O5.C23H21Cl2N5O2.C19H22Cl2N4O3.C6H5NO.I28.I26/c1-5-34-22(32)20-16-14-29(21(31)15-7-8-17(25)18(26)13-15)12-9-19(16)28-30(20)11-6-10-27-23(33)35-24(2,3)4;24-18-3-2-16(12-19(18)25)22(31)29-11-6-20-17(14-29)21-23(32)28(9-1-10-30(21)27-20)13-15-4-7-26-8-5-15;1-2-28-19(27)17-13-11-24(9-6-16(13)23-25(17)8-3-7-22)18(26)12-4-5-14(20)15(21)10-12;8-5-6-1-3-7-4-2-6;1-16(2)18(5)20(7)22(9)24(11)26(13)28(15)27(14)25(12)23(10)21(8)19(6)17(3)4;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,27,33);2-5,7-8,12H,1,6,9-11,13-14H2;4-5,10H,2-3,6-9,11,22H2,1H3;1-5H;;
InChIKeyZRRXSUXAGHYVAA-UHFFFAOYSA-N
XLogP59.95
TPSA294.50 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008381.04
LogP ≤ 559.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde?
The IUPAC name of bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde (CID 167710078) is bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde.
What is the SMILES notation for bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde?
The canonical SMILES for bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde is CCOC(=O)c1c2c(nn1CCCN)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.CCOC(=O)c1c2c(nn1CCCNC(=O)OC(C)(C)C)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.II(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(c1ccc(Cl)c(Cl)c1)N1CCc2nn3c(c2C1)C(=O)N(Cc1ccncc1)CCC3.O=Cc1ccncc1.
What is the InChIKey of bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde?
The InChIKey is ZRRXSUXAGHYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O5.C23H21Cl2N5O2.C19H22Cl2N4O3.C6H5NO.I28.I26/c1-5-34-22(32)20-16-14-29(21(31)15-7-8-17(25)18(26)13-15)12-9-19(16)28-30(20)11-6-10-27-23(33)35-24(2,3)4;24-18-3-2-16(12-19(18)25)22(31)29-11-6-20-17(14-29)21-23(32)28(9-1-10-30(21)27-20)13-15-4-7-26-8-5-15;1-2-28-19(27)17-13-11-24(9-6-16(13)23-25(17)8-3-7-22)18(26)12-4-5-14(20)15(21)10-12;8-5-6-1-3-7-4-2-6;1-16(2)18(5)20(7)22(9)24(11)26(13)28(15)27(14)25(12)23(10)21(8)19(6)17(3)4;1-15(2)17(5)19(7)21(9)23(11)25(13)26(14)24(12)22(10)20(8)18(6)16(3)4/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,27,33);2-5,7-8,12H,1,6,9-11,13-14H2;4-5,10H,2-3,6-9,11,22H2,1H3;1-5H;;.
What are the key properties of bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde?
bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde has a molecular weight of 8381.04 g/mol, XLogP of 59.95, 40 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;4-(3,4-dichlorobenzoyl)-13-(pyridin-4-ylmethyl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one;(diiodo-λ3-iodanyl)-[[[[[[[[[(diiodo-λ3-iodanyl)-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodanyl]-iodo-λ3-iodane;ethyl 2-(3-aminopropyl)-5-(3,4-dichlorobenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;ethyl 5-(3,4-dichlorobenzoyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;pyridine-4-carbaldehyde is sourced from PubChem (CID 167710078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).