[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

C25H22ClN5O2S — CID 33290148

IUPAC[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)c12
InChIInChI=1S/C25H22ClN5O2S/c1-14-22-17(13-18(20-4-3-11-33-20)27-23(22)30(2)29-14)25(32)31-9-7-15(8-10-31)24-28-19-12-16(26)5-6-21(19)34-24/h3-6,11-13,15H,7-10H2,1-2H3
InChIKeyFUBSYFCVHJESKT-UHFFFAOYSA-N
MW492.00 g/mol
LogP5.82
Rot. Bonds3

About [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone

[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 33290148) has the molecular formula C25H22ClN5O2S and a molecular weight of 492.00 g/mol. Its IUPAC name is [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID33290148
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.00 g/mol
Exact Mass491.12
IUPAC Name[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)c12
InChIInChI=1S/C25H22ClN5O2S/c1-14-22-17(13-18(20-4-3-11-33-20)27-23(22)30(2)29-14)25(32)31-9-7-15(8-10-31)24-28-19-12-16(26)5-6-21(19)34-24/h3-6,11-13,15H,7-10H2,1-2H3
InChIKeyFUBSYFCVHJESKT-UHFFFAOYSA-N
XLogP5.82
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
1-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 46564669
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 41419848
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 55972717
tert-butyl 4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 46533052
[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854336
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 16609396
[1-(3-chlorophenyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 2382315
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41419742
2-[4-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56583117
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 37001049
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18292377

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 33290148) is [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)c12.
What is the InChIKey of [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is FUBSYFCVHJESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2S/c1-14-22-17(13-18(20-4-3-11-33-20)27-23(22)30(2)29-14)25(32)31-9-7-15(8-10-31)24-28-19-12-16(26)5-6-21(19)34-24/h3-6,11-13,15H,7-10H2,1-2H3.
What are the key properties of [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 492.00 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 33290148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).