tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

C35H40ClN7O4 — CID 160782425

IUPACtert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C(=O)OC(C)(C)C)C3)c1Cl
InChIInChI=1S/C35H40ClN7O4/c1-20-22(10-8-12-24(20)40-33(45)32-38-25-18-37-15-13-27(25)42(32)6)23-11-7-9-21(30(23)36)17-29(44)31-39-26-19-43(16-14-28(26)41(31)5)34(46)47-35(2,3)4/h7-12,37H,13-19H2,1-6H3,(H,40,45)
InChIKeySATFFSJEHQMFRA-UHFFFAOYSA-N
MW658.20 g/mol
LogP5.40
Rot. Bonds6

About tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 160782425) has the molecular formula C35H40ClN7O4 and a molecular weight of 658.20 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
PubChem CID160782425
Molecular FormulaC35H40ClN7O4
Molecular Weight658.20 g/mol
Exact Mass657.28
IUPAC Nametert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
SMILESCc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C(=O)OC(C)(C)C)C3)c1Cl
InChIInChI=1S/C35H40ClN7O4/c1-20-22(10-8-12-24(20)40-33(45)32-38-25-18-37-15-13-27(25)42(32)6)23-11-7-9-21(30(23)36)17-29(44)31-39-26-19-43(16-14-28(26)41(31)5)34(46)47-35(2,3)4/h7-12,37H,13-19H2,1-6H3,(H,40,45)
InChIKeySATFFSJEHQMFRA-UHFFFAOYSA-N
XLogP5.40
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.20
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate with MolForge

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Related Compounds

N-[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165143
tert-butyl 2-[[3-[2-chloro-3-[[5-[(4-methoxycarbonyl-1-bicyclo[2.2.1]heptanyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 170657775
methyl 4-[2-[2-[[2-chloro-3-[2-chloro-3-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
CID 159469152
4-[2-[2-[[2-chloro-3-[2-chloro-3-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 160746083
tert-butyl 2-[[3-[3-chloro-4-[[1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-pyridinyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 175388189
tert-butyl 2-[[2-chloro-3-[3-[[3-(hydroxymethyl)-1,7-naphthyridin-8-yl]methyl]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 147914830
N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 147941686
tert-butyl 2-[2-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 158191258
tert-butyl 2-[[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 140881929
N-(3-tert-butyl-2-methylphenyl)-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
CID 164736662
tert-butyl 2-[[3-[3-[5-[2-[ethyl(methyl)amino]acetyl]-2,3,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-yl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 142388627
tert-butyl 2-[2-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)phenyl]phenyl]acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;methane;N-[2-methyl-3-[2-methyl-3-[2-oxo-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethyl]phenyl]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 160755893

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate (CID 160782425) is tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is Cc1c(NC(=O)c2nc3c(n2C)CCNC3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C(=O)OC(C)(C)C)C3)c1Cl.
What is the InChIKey of tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is SATFFSJEHQMFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40ClN7O4/c1-20-22(10-8-12-24(20)40-33(45)32-38-25-18-37-15-13-27(25)42(32)6)23-11-7-9-21(30(23)36)17-29(44)31-39-26-19-43(16-14-28(26)41(31)5)34(46)47-35(2,3)4/h7-12,37H,13-19H2,1-6H3,(H,40,45).
What are the key properties of tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate?
tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 658.20 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 160782425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).