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

C17H15ClN4O3 — CID 90067478

IUPAC2-[[(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
SMILESClc1cc2[nH]c(O[C@@H]3CO[C@@H]4CCO[C@@H]43)nc2nc1-c1ccncc1
InChIInChI=1S/C17H15ClN4O3/c18-10-7-11-16(21-14(10)9-1-4-19-5-2-9)22-17(20-11)25-13-8-24-12-3-6-23-15(12)13/h1-2,4-5,7,12-13,15H,3,6,8H2,(H,20,21,22)/t12-,13-,15+/m1/s1
InChIKeyHMQDCUIXGILVFS-NFAWXSAZSA-N
MW358.79 g/mol
LogP2.61
Rot. Bonds3

About 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

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 (PubChem CID 90067478) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[(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
PubChem CID90067478
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name2-[[(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
SMILESClc1cc2[nH]c(O[C@@H]3CO[C@@H]4CCO[C@@H]43)nc2nc1-c1ccncc1
InChIInChI=1S/C17H15ClN4O3/c18-10-7-11-16(21-14(10)9-1-4-19-5-2-9)22-17(20-11)25-13-8-24-12-3-6-23-15(12)13/h1-2,4-5,7,12-13,15H,3,6,8H2,(H,20,21,22)/t12-,13-,15+/m1/s1
InChIKeyHMQDCUIXGILVFS-NFAWXSAZSA-N
XLogP2.61
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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-(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-(1H-pyrazol-5-yl)-1H-imidazo[4,5-b]pyridine
CID 138508895
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
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-[[(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
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
6-[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]phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 123216889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1cc2[nH]c(O[C@@H]3CO[C@@H]4CCO[C@@H]43)nc2nc1-c1ccncc1.
What is the InChIKey of 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?
The InChIKey is HMQDCUIXGILVFS-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-10-7-11-16(21-14(10)9-1-4-19-5-2-9)22-17(20-11)25-13-8-24-12-3-6-23-15(12)13/h1-2,4-5,7,12-13,15H,3,6,8H2,(H,20,21,22)/t12-,13-,15+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 358.79 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90067478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).