3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H21N3O2S — CID 45208252

IUPAC3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1
InChIInChI=1S/C19H21N3O2S/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21)
InChIKeyWSPDPAXDHIABFS-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.14
Rot. Bonds4

About 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45208252) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID45208252
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1
InChIInChI=1S/C19H21N3O2S/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21)
InChIKeyWSPDPAXDHIABFS-UHFFFAOYSA-N
XLogP4.14
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-Dimethylfuran-3-yl)-5-thiophen-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
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CID 56702590
5-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}-3-(2-furyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28333870
5-[(4,5-Dimethylfuran-2-yl)methyl]-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154886302
3-(Furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 154887745
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CID 20910935
4-[[3-(Furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]sulfonyl]morpholine
CID 31162451
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)methanone
CID 45587970
3-(2-Furyl)-4-(2-thienyl)-3-pyrrolino[3,4-d]pyrazol-6-one
CID 45924106
1-[5-(1H-pyrazol-5-yl)-2-furyl]-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46991281
(3-(furan-2-yl)-1H-pyrazol-5-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 49675780
(1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 50952555

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45208252) is 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1coc(-c2n[nH]c3c2CN(Cc2ccc(C4CCCO4)s2)CC3)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is WSPDPAXDHIABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-16(23-9-1)18-6-5-13(25-18)11-22-8-7-15-14(12-22)19(21-20-15)17-4-2-10-24-17/h2,4-6,10,16H,1,3,7-9,11-12H2,(H,20,21).
What are the key properties of 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 355.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45208252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).