2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid

C24H25ClN4O4 — CID 71492945

IUPAC2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid
SMILESO=C(O)C=C1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C24H25ClN4O4/c25-19-14-20-23(28-24(26-20)33-18-7-1-15(2-8-18)13-21(30)31)27-22(19)16-3-5-17(6-4-16)29-9-11-32-12-10-29/h3-6,13-14,18H,1-2,7-12H2,(H,30,31)(H,26,27,28)/b15-13-
InChIKeyNLKKZAGNRQUIDK-SQFISAMPSA-N
MW468.94 g/mol
LogP4.45
Rot. Bonds5

About 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid

2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid (PubChem CID 71492945) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid
PubChem CID71492945
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid
SMILESO=C(O)C=C1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C24H25ClN4O4/c25-19-14-20-23(28-24(26-20)33-18-7-1-15(2-8-18)13-21(30)31)27-22(19)16-3-5-17(6-4-16)29-9-11-32-12-10-29/h3-6,13-14,18H,1-2,7-12H2,(H,30,31)(H,26,27,28)/b15-13-
InChIKeyNLKKZAGNRQUIDK-SQFISAMPSA-N
XLogP4.45
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid?
The IUPAC name of 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid (CID 71492945) is 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid.
What is the SMILES notation for 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid?
The canonical SMILES for 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid is O=C(O)C=C1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid?
The InChIKey is NLKKZAGNRQUIDK-SQFISAMPSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c25-19-14-20-23(28-24(26-20)33-18-7-1-15(2-8-18)13-21(30)31)27-22(19)16-3-5-17(6-4-16)29-9-11-32-12-10-29/h3-6,13-14,18H,1-2,7-12H2,(H,30,31)(H,26,27,28)/b15-13-.
What are the key properties of 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid?
2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid has a molecular weight of 468.94 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexylidene]acetic acid is sourced from PubChem (CID 71492945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).