2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol

C21H20N6O — CID 95212727

IUPAC2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESOc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1
InChIInChI=1S/C21H20N6O/c28-18-7-2-1-5-15(18)13-26-12-8-16-19(25-14-24-16)20(26)17-6-3-11-27(17)21-22-9-4-10-23-21/h1-7,9-11,14,20,28H,8,12-13H2,(H,24,25)/t20-/m1/s1
InChIKeyZZELARHTJOGBPD-HXUWFJFHSA-N
MW372.43 g/mol
LogP2.84
Rot. Bonds4

About 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol

2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol (PubChem CID 95212727) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
PubChem CID95212727
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESOc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1
InChIInChI=1S/C21H20N6O/c28-18-7-2-1-5-15(18)13-26-12-8-16-19(25-14-24-16)20(26)17-6-3-11-27(17)21-22-9-4-10-23-21/h1-7,9-11,14,20,28H,8,12-13H2,(H,24,25)/t20-/m1/s1
InChIKeyZZELARHTJOGBPD-HXUWFJFHSA-N
XLogP2.84
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196713
(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220026
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-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
2-tert-butyl-6-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56714643
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
5-[(2-phenylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70764292
2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
CID 95210798
5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 131962420
(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The IUPAC name of 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol (CID 95212727) is 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The canonical SMILES for 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol is Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1.
What is the InChIKey of 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The InChIKey is ZZELARHTJOGBPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N6O/c28-18-7-2-1-5-15(18)13-26-12-8-16-19(25-14-24-16)20(26)17-6-3-11-27(17)21-22-9-4-10-23-21/h1-7,9-11,14,20,28H,8,12-13H2,(H,24,25)/t20-/m1/s1.
What are the key properties of 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol?
2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol has a molecular weight of 372.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol is sourced from PubChem (CID 95212727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).