methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate

C18H26N4O3 — CID 175808176

IUPACmethyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CN3CCc4c(nc(C(N)=O)n4C)C3)(CC1)C2
InChIInChI=1S/C18H26N4O3/c1-21-13-3-8-22(9-12(13)20-15(21)14(19)23)11-17-4-6-18(10-17,7-5-17)16(24)25-2/h3-11H2,1-2H3,(H2,19,23)
InChIKeyHQLKNXGJGREKPQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.00
Rot. Bonds4

About methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate

methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 175808176) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate
PubChem CID175808176
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Namemethyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate
SMILESCOC(=O)C12CCC(CN3CCc4c(nc(C(N)=O)n4C)C3)(CC1)C2
InChIInChI=1S/C18H26N4O3/c1-21-13-3-8-22(9-12(13)20-15(21)14(19)23)11-17-4-6-18(10-17,7-5-17)16(24)25-2/h3-11H2,1-2H3,(H2,19,23)
InChIKeyHQLKNXGJGREKPQ-UHFFFAOYSA-N
XLogP1.00
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]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 146234785
methyl 4-[2-[2-[[2-chloro-3-(3-deuterio-2-fluorophenyl)phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
CID 175776264
4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 135146587
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
methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate
CID 171417904
1-methyl-5-(oxetan-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175878007
methyl 1-methyl-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
CID 170735393
5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613904
4-[2-[2-[[3-[3-[2-[5-[(3-carboxy-1-bicyclo[1.1.1]pentanyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 147022741
4-[2-[2-[[3-[3-[[5-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146234791
1,5-diethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175877860

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate (CID 175808176) is methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate is COC(=O)C12CCC(CN3CCc4c(nc(C(N)=O)n4C)C3)(CC1)C2.
What is the InChIKey of methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is HQLKNXGJGREKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21-13-3-8-22(9-12(13)20-15(21)14(19)23)11-17-4-6-18(10-17,7-5-17)16(24)25-2/h3-11H2,1-2H3,(H2,19,23).
What are the key properties of methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate?
methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-carbamoyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]bicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 175808176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).