[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H20BrN5O3 — CID 176863190

IUPAC[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(O)c1nc(Br)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc3ccccc3n2)o1
InChIInChI=1S/C22H20BrN5O3/c1-22(2,30)21-27-19(23)18(31-21)20(29)28-10-9-14-16(25-11-24-14)17(28)15-8-7-12-5-3-4-6-13(12)26-15/h3-8,11,17,30H,9-10H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyHADNEWZRRYYHAG-KRWDZBQOSA-N
MW482.34 g/mol
LogP3.72
Rot. Bonds3

About [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863190) has the molecular formula C22H20BrN5O3 and a molecular weight of 482.34 g/mol. Its IUPAC name is [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID176863190
Molecular FormulaC22H20BrN5O3
Molecular Weight482.34 g/mol
Exact Mass481.07
IUPAC Name[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)(O)c1nc(Br)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc3ccccc3n2)o1
InChIInChI=1S/C22H20BrN5O3/c1-22(2,30)21-27-19(23)18(31-21)20(29)28-10-9-14-16(25-11-24-14)17(28)15-8-7-12-5-3-4-6-13(12)26-15/h3-8,11,17,30H,9-10H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyHADNEWZRRYYHAG-KRWDZBQOSA-N
XLogP3.72
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166479
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383
[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166620
[4-(difluoromethyl)-2-pyridin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863164
(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863140
[2-(3,3-difluorocyclobutyl)-4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863156
[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332852
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166458
[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297377
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 170332950
[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 170332100
[4-chloro-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332036

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863190) is [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(O)c1nc(Br)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc3ccccc3n2)o1.
What is the InChIKey of [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HADNEWZRRYYHAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20BrN5O3/c1-22(2,30)21-27-19(23)18(31-21)20(29)28-10-9-14-16(25-11-24-14)17(28)15-8-7-12-5-3-4-6-13(12)26-15/h3-8,11,17,30H,9-10H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 482.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4R)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).