1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride

C83H91Cl2N13 — CID 157155250

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride
SMILESCC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.CN(C)c1cc(C2=NCc3ccc(-c4cnn(C)c4)cc32)ccn1.CNC.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Cl-]
InChIInChI=1S/C35H26ClN5.C27H39N2.C19H19N5.C2H7N.ClH/c1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-23(2)18-9-14(6-7-20-18)19-17-8-13(4-5-15(17)10-21-19)16-11-22-24(3)12-16;1-3-2;/h2-24H,1H3;9-14,17-21H,15-16H2,1-8H3;4-9,11-12H,10H2,1-3H3;3H,1-2H3;1H/q;+1;;;/p-1
InChIKeyMGGRFWGJXBBYJM-UHFFFAOYSA-M
MW1341.64 g/mol
LogP15.10
Rot. Bonds15

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride (PubChem CID 157155250) has the molecular formula C83H91Cl2N13 and a molecular weight of 1341.64 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride
PubChem CID157155250
Molecular FormulaC83H91Cl2N13
Molecular Weight1341.64 g/mol
Exact Mass1339.69
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride
SMILESCC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.CN(C)c1cc(C2=NCc3ccc(-c4cnn(C)c4)cc32)ccn1.CNC.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Cl-]
InChIInChI=1S/C35H26ClN5.C27H39N2.C19H19N5.C2H7N.ClH/c1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-23(2)18-9-14(6-7-20-18)19-17-8-13(4-5-15(17)10-21-19)16-11-22-24(3)12-16;1-3-2;/h2-24H,1H3;9-14,17-21H,15-16H2,1-8H3;4-9,11-12H,10H2,1-3H3;3H,1-2H3;1H/q;+1;;;/p-1
InChIKeyMGGRFWGJXBBYJM-UHFFFAOYSA-M
XLogP15.10
TPSA113.12 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.64
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 122544496
N'-[9-[[3-chloro-5-[8-methyl-2-[(1-methylpyrazol-4-yl)amino]-9-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-5-yl]phenyl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]-3-methyliminobutanimidamide
CID 123509911
5-(5-chloro-3-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488539
5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488611
(Z)-N'-[9-[[3-chloro-5-[8-methyl-2-[(1-methylpyrazol-4-yl)amino]-9-[[3-(trifluoromethyl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-5-yl]phenyl]methyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]-3-(methylamino)but-2-enimidamide
CID 144317236
5-(5-chloro-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(5-fluoro-7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145755994
5-(3-chloro-5-cyclopropyl-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145756128
5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(4-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145756158
5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(7-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145756159
5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-3-(6-fluoro-1H-indol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 145756177
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 160579421
5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 167255523

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride (CID 157155250) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride is CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.CN(C)c1cc(C2=NCc3ccc(-c4cnn(C)c4)cc32)ccn1.CNC.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Cl-].
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride?
The InChIKey is MGGRFWGJXBBYJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H26ClN5.C27H39N2.C19H19N5.C2H7N.ClH/c1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-23(2)18-9-14(6-7-20-18)19-17-8-13(4-5-15(17)10-21-19)16-11-22-24(3)12-16;1-3-2;/h2-24H,1H3;9-14,17-21H,15-16H2,1-8H3;4-9,11-12H,10H2,1-3H3;3H,1-2H3;1H/q;+1;;;/p-1.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride?
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride has a molecular weight of 1341.64 g/mol, XLogP of 15.10, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;N-methylmethanamine;chloride is sourced from PubChem (CID 157155250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).