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

C20H23N3O2S — CID 29026035

IUPAC3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2n[nH]c3c2CN(Cc2ccc([C@H]4CCCCO4)s2)CC3)c1
InChIInChI=1S/C20H23N3O2S/c1-2-10-24-17(4-1)19-7-6-14(26-19)12-23-9-8-16-15(13-23)20(22-21-16)18-5-3-11-25-18/h3,5-7,11,17H,1-2,4,8-10,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyKNFWWKADLBKFKW-QGZVFWFLSA-N
MW369.49 g/mol
LogP4.53
Rot. Bonds4

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

3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 29026035) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID29026035
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1coc(-c2n[nH]c3c2CN(Cc2ccc([C@H]4CCCCO4)s2)CC3)c1
InChIInChI=1S/C20H23N3O2S/c1-2-10-24-17(4-1)19-7-6-14(26-19)12-23-9-8-16-15(13-23)20(22-21-16)18-5-3-11-25-18/h3,5-7,11,17H,1-2,4,8-10,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyKNFWWKADLBKFKW-QGZVFWFLSA-N
XLogP4.53
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.53
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
CID 31223736
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CID 56702590
(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(3-methoxyphenyl)-1H-pyrazol-5-yl)methanone
CID 71780433
(3-(5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 71780376
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
[(3R)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 96351302
[(3S)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 96351303
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
[3-(2-Furyl)-1H-pyrazol-5-YL][4-(2-thienylcarbonyl)piperazino]methanone
CID 20910935
(4-Ethoxyphenyl)-[3-(furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 31125869
4-[[3-(Furan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]sulfonyl]morpholine
CID 31162451

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[5-[(2R)-oxan-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-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 29026035) is 3-(furan-2-yl)-5-[[5-[(2R)-oxan-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-[(2R)-oxan-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-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1coc(-c2n[nH]c3c2CN(Cc2ccc([C@H]4CCCCO4)s2)CC3)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is KNFWWKADLBKFKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-10-24-17(4-1)19-7-6-14(26-19)12-23-9-8-16-15(13-23)20(22-21-16)18-5-3-11-25-18/h3,5-7,11,17H,1-2,4,8-10,12-13H2,(H,21,22)/t17-/m1/s1.
What are the key properties of 3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(furan-2-yl)-5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 369.49 g/mol, XLogP of 4.53, 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-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 29026035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).