2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate

C22H19ClN4O5 — CID 138493993

IUPAC2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate
SMILESO=C(Nc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)OCC(O)CO
InChIInChI=1S/C22H19ClN4O5/c23-17-9-18-20(27-21(30)25-18)26-19(17)14-3-1-12(2-4-14)13-5-7-15(8-6-13)24-22(31)32-11-16(29)10-28/h1-9,16,28-29H,10-11H2,(H,24,31)(H2,25,26,27,30)
InChIKeyBOPSSXDCORYNBD-UHFFFAOYSA-N
MW454.87 g/mol
LogP3.14
Rot. Bonds6

About 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate

2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate (PubChem CID 138493993) has the molecular formula C22H19ClN4O5 and a molecular weight of 454.87 g/mol. Its IUPAC name is 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Name2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate
PubChem CID138493993
Molecular FormulaC22H19ClN4O5
Molecular Weight454.87 g/mol
Exact Mass454.10
IUPAC Name2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate
SMILESO=C(Nc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)OCC(O)CO
InChIInChI=1S/C22H19ClN4O5/c23-17-9-18-20(27-21(30)25-18)26-19(17)14-3-1-12(2-4-14)13-5-7-15(8-6-13)24-22(31)32-11-16(29)10-28/h1-9,16,28-29H,10-11H2,(H,24,31)(H2,25,26,27,30)
InChIKeyBOPSSXDCORYNBD-UHFFFAOYSA-N
XLogP3.14
TPSA140.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 53.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]phenyl]-6-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567780
6-chloro-5-[4-(2-fluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567693
6-chloro-5-[4-[6-(tetrazol-1-yl)-3-pyridinyl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 137051623
6-chloro-5-[4-[1-(2-nitrosoacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138741475
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
4-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]butanoic acid;oxan-2-ylmethanol
CID 144579612
6-chloro-5-[4-[4-(2-methylpropylsulfonyl)piperazin-1-yl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 138567655
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 144579589
2-morpholin-4-ylethyl N-[4-[4-[6-chloro-2-[(3R,5S,6S)-5-hydroxy-6-(1-hydroxyethenyl)oxan-3-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]carbamate
CID 138493994
aluminum tris(6-(2-hydroxyphenyl)-5-phenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one)
CID 175810779
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate?
The IUPAC name of 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate (CID 138493993) is 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate.
What is the SMILES notation for 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate?
The canonical SMILES for 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate is O=C(Nc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)cc1)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate?
The InChIKey is BOPSSXDCORYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O5/c23-17-9-18-20(27-21(30)25-18)26-19(17)14-3-1-12(2-4-14)13-5-7-15(8-6-13)24-22(31)32-11-16(29)10-28/h1-9,16,28-29H,10-11H2,(H,24,31)(H2,25,26,27,30).
What are the key properties of 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate?
2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate has a molecular weight of 454.87 g/mol, XLogP of 3.14, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl N-[4-[4-(6-chloro-2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)phenyl]phenyl]carbamate is sourced from PubChem (CID 138493993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).