8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline

C22H22N4O — CID 95208998

IUPAC8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
SMILESCc1cc(CN2CCc3[nH]cnc3[C@@H]2c2cccc3cccnc23)oc1C
InChIInChI=1S/C22H22N4O/c1-14-11-17(27-15(14)2)12-26-10-8-19-21(25-13-24-19)22(26)18-7-3-5-16-6-4-9-23-20(16)18/h3-7,9,11,13,22H,8,10,12H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyWUAWXBHQKPUJEL-QFIPXVFZSA-N
MW358.45 g/mol
LogP4.32
Rot. Bonds3

About 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline

8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline (PubChem CID 95208998) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline.

Molecular Properties

Compound Name8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
PubChem CID95208998
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
SMILESCc1cc(CN2CCc3[nH]cnc3[C@@H]2c2cccc3cccnc23)oc1C
InChIInChI=1S/C22H22N4O/c1-14-11-17(27-15(14)2)12-26-10-8-19-21(25-13-24-19)22(26)18-7-3-5-16-6-4-9-23-20(16)18/h3-7,9,11,13,22H,8,10,12H2,1-2H3,(H,24,25)/t22-/m0/s1
InChIKeyWUAWXBHQKPUJEL-QFIPXVFZSA-N
XLogP4.32
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70782242
(4R)-4-(2,3-dichloro-4-methylphenyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95869943
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
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
5-(furan-2-ylmethyl)-4-(1-methylindol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56895048
(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95212685
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
CID 136563431
7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135090985
3-[[(4S)-4-(1,5-dimethylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1H-quinolin-2-one
CID 95210916
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709

Frequently Asked Questions

What is the IUPAC name of 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The IUPAC name of 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline (CID 95208998) is 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline.
What is the SMILES notation for 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The canonical SMILES for 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline is Cc1cc(CN2CCc3[nH]cnc3[C@@H]2c2cccc3cccnc23)oc1C.
What is the InChIKey of 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
The InChIKey is WUAWXBHQKPUJEL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-11-17(27-15(14)2)12-26-10-8-19-21(25-13-24-19)22(26)18-7-3-5-16-6-4-9-23-20(16)18/h3-7,9,11,13,22H,8,10,12H2,1-2H3,(H,24,25)/t22-/m0/s1.
What are the key properties of 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline?
8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline has a molecular weight of 358.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4S)-5-[(4,5-dimethylfuran-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline is sourced from PubChem (CID 95208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).