[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid

C27H27N5O3 — CID 71138364

IUPAC[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(N5CCOCC5)nc43)cc2)CCC1
InChIInChI=1S/C27H27N5O3/c33-26(34)30-27(13-4-14-27)20-7-9-21(10-8-20)32-24(19-5-2-1-3-6-19)28-22-11-12-23(29-25(22)32)31-15-17-35-18-16-31/h1-3,5-12,30H,4,13-18H2,(H,33,34)
InChIKeyWUBVTDJEKIGRAH-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.57
Rot. Bonds5

About [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid

[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 71138364) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID71138364
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(N5CCOCC5)nc43)cc2)CCC1
InChIInChI=1S/C27H27N5O3/c33-26(34)30-27(13-4-14-27)20-7-9-21(10-8-20)32-24(19-5-2-1-3-6-19)28-22-11-12-23(29-25(22)32)31-15-17-35-18-16-31/h1-3,5-12,30H,4,13-18H2,(H,33,34)
InChIKeyWUBVTDJEKIGRAH-UHFFFAOYSA-N
XLogP4.57
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid (CID 71138364) is [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(N5CCOCC5)nc43)cc2)CCC1.
What is the InChIKey of [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is WUBVTDJEKIGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-26(34)30-27(13-4-14-27)20-7-9-21(10-8-20)32-24(19-5-2-1-3-6-19)28-22-11-12-23(29-25(22)32)31-15-17-35-18-16-31/h1-3,5-12,30H,4,13-18H2,(H,33,34).
What are the key properties of [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 469.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-morpholin-4-yl-2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 71138364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).