5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H21N5S — CID 56720264

IUPAC5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nccc(CN2CCc3[nH]cnc3C2c2ccsc2)n1
InChIInChI=1S/C18H21N5S/c1-12(2)18-19-6-3-14(22-18)9-23-7-4-15-16(21-11-20-15)17(23)13-5-8-24-10-13/h3,5-6,8,10-12,17H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyHYBGICZUGBHEBT-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.53
Rot. Bonds4

About 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56720264) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56720264
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nccc(CN2CCc3[nH]cnc3C2c2ccsc2)n1
InChIInChI=1S/C18H21N5S/c1-12(2)18-19-6-3-14(22-18)9-23-7-4-15-16(21-11-20-15)17(23)13-5-8-24-10-13/h3,5-6,8,10-12,17H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyHYBGICZUGBHEBT-UHFFFAOYSA-N
XLogP3.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95225863
(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95229839
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510
4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56874476
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
4-(4-chlorophenyl)-5-(1H-pyrazol-5-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 167912628
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 50968286
(4R)-5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95203763
3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213135

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56720264) is 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)c1nccc(CN2CCc3[nH]cnc3C2c2ccsc2)n1.
What is the InChIKey of 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HYBGICZUGBHEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-12(2)18-19-6-3-14(22-18)9-23-7-4-15-16(21-11-20-15)17(23)13-5-8-24-10-13/h3,5-6,8,10-12,17H,4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 339.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56720264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).