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

C15H14ClN5O3 — CID 138509005

IUPAC2-[[(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
SMILESClc1cc2[nH]c(OC3CO[C@@H]4CCO[C@H]34)nc2nc1-c1cn[nH]c1
InChIInChI=1S/C15H14ClN5O3/c16-8-3-9-14(20-12(8)7-4-17-18-5-7)21-15(19-9)24-11-6-23-10-1-2-22-13(10)11/h3-5,10-11,13H,1-2,6H2,(H,17,18)(H,19,20,21)/t10-,11?,13+/m1/s1
InChIKeyQGCPUJZAFZRCJD-XEEJXUNPSA-N
MW347.76 g/mol
LogP1.94
Rot. Bonds3

About 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

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 (PubChem CID 138509005) has the molecular formula C15H14ClN5O3 and a molecular weight of 347.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[(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
PubChem CID138509005
Molecular FormulaC15H14ClN5O3
Molecular Weight347.76 g/mol
Exact Mass347.08
IUPAC Name2-[[(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
SMILESClc1cc2[nH]c(OC3CO[C@@H]4CCO[C@H]34)nc2nc1-c1cn[nH]c1
InChIInChI=1S/C15H14ClN5O3/c16-8-3-9-14(20-12(8)7-4-17-18-5-7)21-15(19-9)24-11-6-23-10-1-2-22-13(10)11/h3-5,10-11,13H,1-2,6H2,(H,17,18)(H,19,20,21)/t10-,11?,13+/m1/s1
InChIKeyQGCPUJZAFZRCJD-XEEJXUNPSA-N
XLogP1.94
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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-(2-methylsulfonylpyrimidin-5-yl)-1H-imidazo[4,5-b]pyridine
CID 138508710
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
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-(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-[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-(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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1cc2[nH]c(OC3CO[C@@H]4CCO[C@H]34)nc2nc1-c1cn[nH]c1.
What is the InChIKey of 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?
The InChIKey is QGCPUJZAFZRCJD-XEEJXUNPSA-N. The full InChI is InChI=1S/C15H14ClN5O3/c16-8-3-9-14(20-12(8)7-4-17-18-5-7)21-15(19-9)24-11-6-23-10-1-2-22-13(10)11/h3-5,10-11,13H,1-2,6H2,(H,17,18)(H,19,20,21)/t10-,11?,13+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 347.76 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138509005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).