sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride

C89H80Cl9N16NaO2 — CID 158081102

IUPACsodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride
SMILESCCCC(CCC)N1CC(c2ccccc2)n2nc(-c3ccc(Cl)cc3Cl)c3nccc1c32.Cc1cc(Cl)c2n[nH]c(-c3ccc(Cl)cc3Cl)c2n1.Cc1cc(NCC(O)c2ccccc2)c2[nH]nc(-c3ccc(Cl)cc3Cl)c2n1.Clc1ccc(-c2nn3c4c(ccnc24)NCC3c2ccccc2)c(Cl)c1.NCC(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C27H28Cl2N4.C21H18Cl2N4O.C20H14Cl2N4.C13H8Cl3N3.C8H11NO.Na.H/c1-3-8-20(9-4-2)32-17-24(18-10-6-5-7-11-18)33-27-23(32)14-15-30-26(27)25(31-33)21-13-12-19(28)16-22(21)29;1-12-9-17(24-11-18(28)13-5-3-2-4-6-13)20-21(25-12)19(26-27-20)15-8-7-14(22)10-16(15)23;21-13-6-7-14(15(22)10-13)18-19-20-16(8-9-23-19)24-11-17(26(20)25-18)12-4-2-1-3-5-12;1-6-4-10(16)12-13(17-6)11(18-19-12)8-3-2-7(14)5-9(8)15;9-6-8(10)7-4-2-1-3-5-7;;/h5-7,10-16,20,24H,3-4,8-9,17H2,1-2H3;2-10,18,28H,11H2,1H3,(H,24,25)(H,26,27);1-10,17,24H,11H2;2-5H,1H3,(H,18,19);1-5,8,10H,6,9H2;;/q;;;;;+1;-1
InChIKeyMMUULXUIRKVFMI-UHFFFAOYSA-N
MW1747.80 g/mol
LogP21.28
Rot. Bonds17

About sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride

sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride (PubChem CID 158081102) has the molecular formula C89H80Cl9N16NaO2 and a molecular weight of 1747.80 g/mol. Its IUPAC name is sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride.

Molecular Properties

Compound Namesodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride
PubChem CID158081102
Molecular FormulaC89H80Cl9N16NaO2
Molecular Weight1747.80 g/mol
Exact Mass1742.37
IUPAC Namesodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride
SMILESCCCC(CCC)N1CC(c2ccccc2)n2nc(-c3ccc(Cl)cc3Cl)c3nccc1c32.Cc1cc(Cl)c2n[nH]c(-c3ccc(Cl)cc3Cl)c2n1.Cc1cc(NCC(O)c2ccccc2)c2[nH]nc(-c3ccc(Cl)cc3Cl)c2n1.Clc1ccc(-c2nn3c4c(ccnc24)NCC3c2ccccc2)c(Cl)c1.NCC(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C27H28Cl2N4.C21H18Cl2N4O.C20H14Cl2N4.C13H8Cl3N3.C8H11NO.Na.H/c1-3-8-20(9-4-2)32-17-24(18-10-6-5-7-11-18)33-27-23(32)14-15-30-26(27)25(31-33)21-13-12-19(28)16-22(21)29;1-12-9-17(24-11-18(28)13-5-3-2-4-6-13)20-21(25-12)19(26-27-20)15-8-7-14(22)10-16(15)23;21-13-6-7-14(15(22)10-13)18-19-20-16(8-9-23-19)24-11-17(26(20)25-18)12-4-2-1-3-5-12;1-6-4-10(16)12-13(17-6)11(18-19-12)8-3-2-7(14)5-9(8)15;9-6-8(10)7-4-2-1-3-5-7;;/h5-7,10-16,20,24H,3-4,8-9,17H2,1-2H3;2-10,18,28H,11H2,1H3,(H,24,25)(H,26,27);1-10,17,24H,11H2;2-5H,1H3,(H,18,19);1-5,8,10H,6,9H2;;/q;;;;;+1;-1
InChIKeyMMUULXUIRKVFMI-UHFFFAOYSA-N
XLogP21.28
TPSA238.34 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001747.80
LogP ≤ 521.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 159256318
2-amino-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;(2R)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;(2S)-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide
CID 159899758
sodium;2-amino-1-phenylethanol;3-(2,4-dichlorophenyl)-5,7-dimethyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride
CID 160385968

Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride?
The IUPAC name of sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride (CID 158081102) is sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride.
What is the SMILES notation for sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride?
The canonical SMILES for sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride is CCCC(CCC)N1CC(c2ccccc2)n2nc(-c3ccc(Cl)cc3Cl)c3nccc1c32.Cc1cc(Cl)c2n[nH]c(-c3ccc(Cl)cc3Cl)c2n1.Cc1cc(NCC(O)c2ccccc2)c2[nH]nc(-c3ccc(Cl)cc3Cl)c2n1.Clc1ccc(-c2nn3c4c(ccnc24)NCC3c2ccccc2)c(Cl)c1.NCC(O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride?
The InChIKey is MMUULXUIRKVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4.C21H18Cl2N4O.C20H14Cl2N4.C13H8Cl3N3.C8H11NO.Na.H/c1-3-8-20(9-4-2)32-17-24(18-10-6-5-7-11-18)33-27-23(32)14-15-30-26(27)25(31-33)21-13-12-19(28)16-22(21)29;1-12-9-17(24-11-18(28)13-5-3-2-4-6-13)20-21(25-12)19(26-27-20)15-8-7-14(22)10-16(15)23;21-13-6-7-14(15(22)10-13)18-19-20-16(8-9-23-19)24-11-17(26(20)25-18)12-4-2-1-3-5-12;1-6-4-10(16)12-13(17-6)11(18-19-12)8-3-2-7(14)5-9(8)15;9-6-8(10)7-4-2-1-3-5-7;;/h5-7,10-16,20,24H,3-4,8-9,17H2,1-2H3;2-10,18,28H,11H2,1H3,(H,24,25)(H,26,27);1-10,17,24H,11H2;2-5H,1H3,(H,18,19);1-5,8,10H,6,9H2;;/q;;;;;+1;-1.
What are the key properties of sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride?
sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride has a molecular weight of 1747.80 g/mol, XLogP of 21.28, 17 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-1-phenylethanol;7-chloro-3-(2,4-dichlorophenyl)-5-methyl-2H-pyrazolo[4,3-b]pyridine;3-(2,4-dichlorophenyl)-9-heptan-4-yl-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]amino]-1-phenylethanol;3-(2,4-dichlorophenyl)-11-phenyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydride is sourced from PubChem (CID 158081102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).