[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C21H19N5OS — CID 154860046

IUPAC[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C21H19N5OS/c27-21(26-10-8-18-15(12-26)11-22-24-18)17-5-1-2-6-19(17)28-14-16-13-25-9-4-3-7-20(25)23-16/h1-7,9,11,13H,8,10,12,14H2,(H,22,24)
InChIKeyXOUFCCYCDPSAMK-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.55
Rot. Bonds4

About [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 154860046) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID154860046
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C21H19N5OS/c27-21(26-10-8-18-15(12-26)11-22-24-18)17-5-1-2-6-19(17)28-14-16-13-25-9-4-3-7-20(25)23-16/h1-7,9,11,13H,8,10,12,14H2,(H,22,24)
InChIKeyXOUFCCYCDPSAMK-UHFFFAOYSA-N
XLogP3.55
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[2-(triazol-1-yl)phenyl]methanone
CID 86788476

Frequently Asked Questions

What is the IUPAC name of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 154860046) is [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCc2[nH]ncc2C1.
What is the InChIKey of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is XOUFCCYCDPSAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c27-21(26-10-8-18-15(12-26)11-22-24-18)17-5-1-2-6-19(17)28-14-16-13-25-9-4-3-7-20(25)23-16/h1-7,9,11,13H,8,10,12,14H2,(H,22,24).
What are the key properties of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 154860046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).