(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H20N6 — CID 95218766

IUPAC(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(-n2nccc2CN2CCc3[nH]cnc3[C@H]2c2ccccn2)cc1
InChIInChI=1S/C21H20N6/c1-2-6-16(7-3-1)27-17(9-12-25-27)14-26-13-10-18-20(24-15-23-18)21(26)19-8-4-5-11-22-19/h1-9,11-12,15,21H,10,13-14H2,(H,23,24)/t21-/m1/s1
InChIKeyRDQYEZAWLMINCK-OAQYLSRUSA-N
MW356.43 g/mol
LogP3.14
Rot. Bonds4

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

(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95218766) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95218766
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(-n2nccc2CN2CCc3[nH]cnc3[C@H]2c2ccccn2)cc1
InChIInChI=1S/C21H20N6/c1-2-6-16(7-3-1)27-17(9-12-25-27)14-26-13-10-18-20(24-15-23-18)21(26)19-8-4-5-11-22-19/h1-9,11-12,15,21H,10,13-14H2,(H,23,24)/t21-/m1/s1
InChIKeyRDQYEZAWLMINCK-OAQYLSRUSA-N
XLogP3.14
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213135
3-[(4S)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 95213134
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
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-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 124906882
(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220026
3-cyclopropyl-5-[(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,2-oxazole
CID 136563431
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
5-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 75100563
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-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545324

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95218766) is (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(-n2nccc2CN2CCc3[nH]cnc3[C@H]2c2ccccn2)cc1.
What is the InChIKey of (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RDQYEZAWLMINCK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N6/c1-2-6-16(7-3-1)27-17(9-12-25-27)14-26-13-10-18-20(24-15-23-18)21(26)19-8-4-5-11-22-19/h1-9,11-12,15,21H,10,13-14H2,(H,23,24)/t21-/m1/s1.
What are the key properties of (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 356.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95218766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).