1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine

C69H85F6N7O9 — CID 167616663

IUPAC1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCC3(C)COC(C)(C)OC3)c2CC(=O)CC(F)(F)F)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c3c2nc(CC(F)(F)F)n3CC2(C)COC(C)(C)OC2)cc1
InChIInChI=1S/C35H44F3N3O5.C34H41F3N4O4/c1-23-24(2)40-32(41(18-25-8-12-28(43-6)13-9-25)19-26-10-14-29(44-7)15-11-26)30(16-27(42)17-35(36,37)38)31(23)39-20-34(5)21-45-33(3,4)46-22-34;1-22-23(2)38-31(40(17-24-8-12-26(42-6)13-9-24)18-25-10-14-27(43-7)15-11-25)29-30(22)41(28(39-29)16-34(35,36)37)19-33(5)20-44-32(3,4)45-21-33/h8-15H,16-22H2,1-7H3,(H,39,40);8-15H,16-21H2,1-7H3
InChIKeyLVNJWSSTRQZFRK-UHFFFAOYSA-N
MW1270.47 g/mol
LogP14.35
Rot. Bonds23

About 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine

1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine (PubChem CID 167616663) has the molecular formula C69H85F6N7O9 and a molecular weight of 1270.47 g/mol. Its IUPAC name is 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine
PubChem CID167616663
Molecular FormulaC69H85F6N7O9
Molecular Weight1270.47 g/mol
Exact Mass1269.63
IUPAC Name1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCC3(C)COC(C)(C)OC3)c2CC(=O)CC(F)(F)F)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c3c2nc(CC(F)(F)F)n3CC2(C)COC(C)(C)OC2)cc1
InChIInChI=1S/C35H44F3N3O5.C34H41F3N4O4/c1-23-24(2)40-32(41(18-25-8-12-28(43-6)13-9-25)19-26-10-14-29(44-7)15-11-26)30(16-27(42)17-35(36,37)38)31(23)39-20-34(5)21-45-33(3,4)46-22-34;1-22-23(2)38-31(40(17-24-8-12-26(42-6)13-9-24)18-25-10-14-27(43-7)15-11-25)29-30(22)41(28(39-29)16-34(35,36)37)19-33(5)20-44-32(3,4)45-21-33/h8-15H,16-22H2,1-7H3,(H,39,40);8-15H,16-21H2,1-7H3
InChIKeyLVNJWSSTRQZFRK-UHFFFAOYSA-N
XLogP14.35
TPSA153.02 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.47
LogP ≤ 514.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine with MolForge

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Related Compounds

1-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-5,6,7,8-tetrahydroquinolin-3-yl]hexan-2-one
CID 158074645
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,4-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-2-ethoxyacetamide
CID 175579363
methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
CID 176803994
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylamino]-5,6-dimethyl-3-pyridinyl]-2-ethoxyacetamide
CID 67041304
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
methyl 4-[bis[(4-methoxyphenyl)methyl]amino]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-2-carboxylate
CID 164596563
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
5-N,1-bis[(4-methoxyphenyl)methyl]-5-N-[(4-methylphenyl)methyl]-3-N-[3-(2,2,2-trifluoroethyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 129131802
tert-butyl N-[4-(dibenzylamino)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]-N-(ethoxymethyl)carbamate
CID 68993594
1-methoxy-4-methylbenzene;3,3,3-trifluoro-2-methyl-N-[2-[[1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]propanamide
CID 144719180
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
CID 175327963
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine (CID 167616663) is 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCC3(C)COC(C)(C)OC3)c2CC(=O)CC(F)(F)F)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c3c2nc(CC(F)(F)F)n3CC2(C)COC(C)(C)OC2)cc1.
What is the InChIKey of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine?
The InChIKey is LVNJWSSTRQZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44F3N3O5.C34H41F3N4O4/c1-23-24(2)40-32(41(18-25-8-12-28(43-6)13-9-25)19-26-10-14-29(44-7)15-11-26)30(16-27(42)17-35(36,37)38)31(23)39-20-34(5)21-45-33(3,4)46-22-34;1-22-23(2)38-31(40(17-24-8-12-26(42-6)13-9-24)18-25-10-14-27(43-7)15-11-25)29-30(22)41(28(39-29)16-34(35,36)37)19-33(5)20-44-32(3,4)45-21-33/h8-15H,16-22H2,1-7H3,(H,39,40);8-15H,16-21H2,1-7H3.
What are the key properties of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine?
1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine has a molecular weight of 1270.47 g/mol, XLogP of 14.35, 23 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]-5,6-dimethyl-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-3-pyridinyl]-4,4,4-trifluorobutan-2-one;N,N-bis[(4-methoxyphenyl)methyl]-6,7-dimethyl-2-(2,2,2-trifluoroethyl)-1-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl]imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 167616663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).