(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H25N5S — CID 95889407

IUPAC(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=CCn1nc(C)c([C@H]2c3nc[nH]c3CCN2Cc2sccc2C)c1C
InChIInChI=1S/C20H25N5S/c1-5-8-25-15(4)18(14(3)23-25)20-19-16(21-12-22-19)6-9-24(20)11-17-13(2)7-10-26-17/h5,7,10,12,20H,1,6,8-9,11H2,2-4H3,(H,21,22)/t20-/m0/s1
InChIKeyJYZOHPZXUGYAFZ-FQEVSTJZSA-N
MW367.52 g/mol
LogP3.93
Rot. Bonds5

About (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95889407) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95889407
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=CCn1nc(C)c([C@H]2c3nc[nH]c3CCN2Cc2sccc2C)c1C
InChIInChI=1S/C20H25N5S/c1-5-8-25-15(4)18(14(3)23-25)20-19-16(21-12-22-19)6-9-24(20)11-17-13(2)7-10-26-17/h5,7,10,12,20H,1,6,8-9,11H2,2-4H3,(H,21,22)/t20-/m0/s1
InChIKeyJYZOHPZXUGYAFZ-FQEVSTJZSA-N
XLogP3.93
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95871567
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70721371
(4S)-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95223626
(4S)-5-(1H-imidazol-5-ylmethyl)-4-(1-prop-2-enylbenzimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95727621
(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95229839
3-methyl-5-[[(4S)-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 95216096
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70774122
(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95869943
(4S)-5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95225863
5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720264
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
4-(2-chloro-4-fluorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56722473

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95889407) is (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is C=CCn1nc(C)c([C@H]2c3nc[nH]c3CCN2Cc2sccc2C)c1C.
What is the InChIKey of (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is JYZOHPZXUGYAFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N5S/c1-5-8-25-15(4)18(14(3)23-25)20-19-16(21-12-22-19)6-9-24(20)11-17-13(2)7-10-26-17/h5,7,10,12,20H,1,6,8-9,11H2,2-4H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 367.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95889407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).