(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H23N5O — CID 95201436

IUPAC(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1oc2ccccc2c1CN1CCc2[nH]cnc2[C@H]1c1cnn(C)c1
InChIInChI=1S/C21H23N5O/c1-3-18-16(15-6-4-5-7-19(15)27-18)12-26-9-8-17-20(23-13-22-17)21(26)14-10-24-25(2)11-14/h4-7,10-11,13,21H,3,8-9,12H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyGJGILNOZTMSMOH-OAQYLSRUSA-N
MW361.45 g/mol
LogP3.60
Rot. Bonds4

About (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95201436) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95201436
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1oc2ccccc2c1CN1CCc2[nH]cnc2[C@H]1c1cnn(C)c1
InChIInChI=1S/C21H23N5O/c1-3-18-16(15-6-4-5-7-19(15)27-18)12-26-9-8-17-20(23-13-22-17)21(26)14-10-24-25(2)11-14/h4-7,10-11,13,21H,3,8-9,12H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyGJGILNOZTMSMOH-OAQYLSRUSA-N
XLogP3.60
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 131962420
(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95219731
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
(4S)-4-(1-methylpyrazol-4-yl)-5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95223955
(3R,4S)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120920029
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164442
5-(hydroxymethyl)-4-[[(4S)-4-(3-hydroxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-methylpyridin-3-ol
CID 95226886
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
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213135
(4R)-4-(1-benzofuran-2-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95212685

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95201436) is (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1oc2ccccc2c1CN1CCc2[nH]cnc2[C@H]1c1cnn(C)c1.
What is the InChIKey of (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is GJGILNOZTMSMOH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-18-16(15-6-4-5-7-19(15)27-18)12-26-9-8-17-20(23-13-22-17)21(26)14-10-24-25(2)11-14/h4-7,10-11,13,21H,3,8-9,12H2,1-2H3,(H,22,23)/t21-/m1/s1.
What are the key properties of (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 361.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95201436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).