(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C23H22N4O2 — CID 97339643

IUPAC(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESN#CCOc1cccc(CNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)c1
InChIInChI=1S/C23H22N4O2/c24-10-12-29-21-8-4-5-17(13-21)15-26-23(28)19-9-11-27-20(14-19)16-25-22(27)18-6-2-1-3-7-18/h1-8,13,16,19H,9,11-12,14-15H2,(H,26,28)/t19-/m0/s1
InChIKeyBYSZIPWQOFQCPM-IBGZPJMESA-N
MW386.46 g/mol
LogP3.33
Rot. Bonds6

About (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 97339643) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID97339643
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESN#CCOc1cccc(CNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)c1
InChIInChI=1S/C23H22N4O2/c24-10-12-29-21-8-4-5-17(13-21)15-26-23(28)19-9-11-27-20(14-19)16-25-22(27)18-6-2-1-3-7-18/h1-8,13,16,19H,9,11-12,14-15H2,(H,26,28)/t19-/m0/s1
InChIKeyBYSZIPWQOFQCPM-IBGZPJMESA-N
XLogP3.33
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
CID 154794746
N-[[3-(cyanomethoxy)phenyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990098
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472763
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249264
N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 46320637
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
(1R)-N-[[3-(cyanomethoxy)phenyl]methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 96563405
2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
CID 86946514
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
N-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775678
(3S)-N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085955
N-[(3-methoxyphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107209

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 97339643) is (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is N#CCOc1cccc(CNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)c1.
What is the InChIKey of (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is BYSZIPWQOFQCPM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N4O2/c24-10-12-29-21-8-4-5-17(13-21)15-26-23(28)19-9-11-27-20(14-19)16-25-22(27)18-6-2-1-3-7-18/h1-8,13,16,19H,9,11-12,14-15H2,(H,26,28)/t19-/m0/s1.
What are the key properties of (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 97339643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).