4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine

C24H27ClN4O5 — CID 123839699

IUPAC4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine
SMILESClc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O5/c25-17-13-18-23(28-24(26-18)34-20-14-33-19-5-9-32-22(19)20)27-21(17)15-1-3-16(4-2-15)31-12-8-29-6-10-30-11-7-29/h1-4,13,19-20,22H,5-12,14H2,(H,26,27,28)
InChIKeyGZLMEIYJJLKMHC-UHFFFAOYSA-N
MW486.96 g/mol
LogP2.92
Rot. Bonds7

About 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine

4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine (PubChem CID 123839699) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine
PubChem CID123839699
Molecular FormulaC24H27ClN4O5
Molecular Weight486.96 g/mol
Exact Mass486.17
IUPAC Name4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine
SMILESClc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C24H27ClN4O5/c25-17-13-18-23(28-24(26-18)34-20-14-33-19-5-9-32-22(19)20)27-21(17)15-1-3-16(4-2-15)31-12-8-29-6-10-30-11-7-29/h1-4,13,19-20,22H,5-12,14H2,(H,26,27,28)
InChIKeyGZLMEIYJJLKMHC-UHFFFAOYSA-N
XLogP2.92
TPSA90.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508973
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[4-(oxan-4-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508909
2-[[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 90067478
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 138509005
5-[4-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-1-methylimidazol-2-amine
CID 138508652
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[4-(1,2-dihydrotriazol-3-ylmethyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508874
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[6-(4-fluorophenyl)-3-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 138508876
1-[4-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]-1,2,4-triazole-3,5-diamine
CID 138508765
2-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzonitrile
CID 138508658
1-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile
CID 138508854
2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-(1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
CID 138508895
4-[4-[4-[2-[[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]butanoic acid
CID 138508786

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine (CID 123839699) is 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine is Clc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine?
The InChIKey is GZLMEIYJJLKMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c25-17-13-18-23(28-24(26-18)34-20-14-33-19-5-9-32-22(19)20)27-21(17)15-1-3-16(4-2-15)31-12-8-29-6-10-30-11-7-29/h1-4,13,19-20,22H,5-12,14H2,(H,26,27,28).
What are the key properties of 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine has a molecular weight of 486.96 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 123839699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).