N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

C21H26N6O — CID 95212717

IUPACN-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCCc1nc(CN2CCc3[nH]cnc3[C@H]2c2ccc(NC(C)=O)cc2)c(C)[nH]1
InChIInChI=1S/C21H26N6O/c1-4-19-24-13(2)18(26-19)11-27-10-9-17-20(23-12-22-17)21(27)15-5-7-16(8-6-15)25-14(3)28/h5-8,12,21H,4,9-11H2,1-3H3,(H,22,23)(H,24,26)(H,25,28)/t21-/m1/s1
InChIKeyZIDPPRCNGRHEOV-OAQYLSRUSA-N
MW378.48 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (PubChem CID 95212717) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
PubChem CID95212717
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCCc1nc(CN2CCc3[nH]cnc3[C@H]2c2ccc(NC(C)=O)cc2)c(C)[nH]1
InChIInChI=1S/C21H26N6O/c1-4-19-24-13(2)18(26-19)11-27-10-9-17-20(23-12-22-17)21(27)15-5-7-16(8-6-15)25-14(3)28/h5-8,12,21H,4,9-11H2,1-3H3,(H,22,23)(H,24,26)(H,25,28)/t21-/m1/s1
InChIKeyZIDPPRCNGRHEOV-OAQYLSRUSA-N
XLogP3.11
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (CID 95212717) is N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is CCc1nc(CN2CCc3[nH]cnc3[C@H]2c2ccc(NC(C)=O)cc2)c(C)[nH]1.
What is the InChIKey of N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The InChIKey is ZIDPPRCNGRHEOV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N6O/c1-4-19-24-13(2)18(26-19)11-27-10-9-17-20(23-12-22-17)21(27)15-5-7-16(8-6-15)25-14(3)28/h5-8,12,21H,4,9-11H2,1-3H3,(H,22,23)(H,24,26)(H,25,28)/t21-/m1/s1.
What are the key properties of N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 95212717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).