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

C22H22N4O2 — CID 95191750

IUPAC(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccc2c(c1)C=C(CN1CCc3[nH]cnc3[C@H]1c1ccncc1)CO2
InChIInChI=1S/C22H22N4O2/c1-27-18-2-3-20-17(11-18)10-15(13-28-20)12-26-9-6-19-21(25-14-24-19)22(26)16-4-7-23-8-5-16/h2-5,7-8,10-11,14,22H,6,9,12-13H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyWGJCCKVYMWIRER-JOCHJYFZSA-N
MW374.44 g/mol
LogP3.24
Rot. Bonds4

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

(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95191750) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95191750
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccc2c(c1)C=C(CN1CCc3[nH]cnc3[C@H]1c1ccncc1)CO2
InChIInChI=1S/C22H22N4O2/c1-27-18-2-3-20-17(11-18)10-15(13-28-20)12-26-9-6-19-21(25-14-24-19)22(26)16-4-7-23-8-5-16/h2-5,7-8,10-11,14,22H,6,9,12-13H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyWGJCCKVYMWIRER-JOCHJYFZSA-N
XLogP3.24
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56719547
(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95198936
2-tert-butyl-6-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56714643
2-tert-butyl-6-[[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95208575
(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95194123
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxy-2H-chromen-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 51595316
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 45169153
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 134695544
(1S,5R)-6-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72850715
2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
CID 95210798

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95191750) is (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1ccc2c(c1)C=C(CN1CCc3[nH]cnc3[C@H]1c1ccncc1)CO2.
What is the InChIKey of (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is WGJCCKVYMWIRER-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-18-2-3-20-17(11-18)10-15(13-28-20)12-26-9-6-19-21(25-14-24-19)22(26)16-4-7-23-8-5-16/h2-5,7-8,10-11,14,22H,6,9,12-13H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 374.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95191750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).