2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine

C20H18ClN7O3 — CID 123375901

IUPAC2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C20H18ClN7O3/c21-12-8-13-19(24-20(22-13)31-15-9-30-14-5-6-29-18(14)15)23-17(12)11-3-1-10(2-4-11)7-16-25-27-28-26-16/h1-4,8,14-15,18H,5-7,9H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyPBDVKOSDHYEGPM-UHFFFAOYSA-N
MW439.86 g/mol
LogP2.32
Rot. Bonds5

About 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine

2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 123375901) has the molecular formula C20H18ClN7O3 and a molecular weight of 439.86 g/mol. Its IUPAC name is 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID123375901
Molecular FormulaC20H18ClN7O3
Molecular Weight439.86 g/mol
Exact Mass439.12
IUPAC Name2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C20H18ClN7O3/c21-12-8-13-19(24-20(22-13)31-15-9-30-14-5-6-29-18(14)15)23-17(12)11-3-1-10(2-4-11)7-16-25-27-28-26-16/h1-4,8,14-15,18H,5-7,9H2,(H,22,23,24)(H,25,26,27,28)
InChIKeyPBDVKOSDHYEGPM-UHFFFAOYSA-N
XLogP2.32
TPSA123.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

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-[4-[4-(1,2-dihydrotriazol-3-ylmethyl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508874
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
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(3-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 123868371
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)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1H-imidazo[4,5-b]pyridine
CID 138508701
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
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
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
3-[4-[4-[2-[[(3aR,6R,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]-4H-1,2,4-oxadiazol-5-one
CID 136625855
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]-3-ethylurea
CID 138508961

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 123375901) is 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(OC3COC4CCOC43)nc2nc1-c1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PBDVKOSDHYEGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O3/c21-12-8-13-19(24-20(22-13)31-15-9-30-14-5-6-29-18(14)15)23-17(12)11-3-1-10(2-4-11)7-16-25-27-28-26-16/h1-4,8,14-15,18H,5-7,9H2,(H,22,23,24)(H,25,26,27,28).
What are the key properties of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 439.86 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-6-chloro-5-[4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 123375901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).