(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C23H23N5 — CID 95545462

IUPAC(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(CCN2CCc3[nH]cnc3[C@@H]2c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C23H23N5/c1-2-6-18(7-3-1)10-14-27-15-11-21-22(25-17-24-21)23(27)19-8-4-9-20(16-19)28-13-5-12-26-28/h1-9,12-13,16-17,23H,10-11,14-15H2,(H,24,25)/t23-/m0/s1
InChIKeyUOJWKUQQRSXTFJ-QHCPKHFHSA-N
MW369.47 g/mol
LogP3.79
Rot. Bonds5

About (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95545462) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95545462
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(CCN2CCc3[nH]cnc3[C@@H]2c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C23H23N5/c1-2-6-18(7-3-1)10-14-27-15-11-21-22(25-17-24-21)23(27)19-8-4-9-20(16-19)28-13-5-12-26-28/h1-9,12-13,16-17,23H,10-11,14-15H2,(H,24,25)/t23-/m0/s1
InChIKeyUOJWKUQQRSXTFJ-QHCPKHFHSA-N
XLogP3.79
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56871437
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545324
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 30852850
3-[(4S)-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95204512
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56874476
(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95194123

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95545462) is (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(CCN2CCc3[nH]cnc3[C@@H]2c2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UOJWKUQQRSXTFJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N5/c1-2-6-18(7-3-1)10-14-27-15-11-21-22(25-17-24-21)23(27)19-8-4-9-20(16-19)28-13-5-12-26-28/h1-9,12-13,16-17,23H,10-11,14-15H2,(H,24,25)/t23-/m0/s1.
What are the key properties of (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 369.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95545462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).