1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C23H22N8O3S — CID 146590452

IUPAC1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]ncc2-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1
InChIInChI=1S/C23H22N8O3S/c1-15(32)29-8-5-16(6-9-29)23-18(12-26-28-23)17-10-20-19(24-11-17)13-27-31(20)35(33,34)22-14-25-21-4-2-3-7-30(21)22/h2-4,7,10-14,16H,5-6,8-9H2,1H3,(H,26,28)
InChIKeyOOIVAFHCIYIIJG-UHFFFAOYSA-N
MW490.55 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 146590452) has the molecular formula C23H22N8O3S and a molecular weight of 490.55 g/mol. Its IUPAC name is 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID146590452
Molecular FormulaC23H22N8O3S
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2[nH]ncc2-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1
InChIInChI=1S/C23H22N8O3S/c1-15(32)29-8-5-16(6-9-29)23-18(12-26-28-23)17-10-20-19(24-11-17)13-27-31(20)35(33,34)22-14-25-21-4-2-3-7-30(21)22/h2-4,7,10-14,16H,5-6,8-9H2,1H3,(H,26,28)
InChIKeyOOIVAFHCIYIIJG-UHFFFAOYSA-N
XLogP2.43
TPSA131.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
(2,2-dimethyloxan-4-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 45210369
5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
1-[4-[1-(4-methylphenyl)indolizin-3-yl]piperidin-1-yl]ethanone
CID 142914293
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124967892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 146590452) is 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2[nH]ncc2-c2cnc3cnn(S(=O)(=O)c4cnc5ccccn45)c3c2)CC1.
What is the InChIKey of 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is OOIVAFHCIYIIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3S/c1-15(32)29-8-5-16(6-9-29)23-18(12-26-28-23)17-10-20-19(24-11-17)13-27-31(20)35(33,34)22-14-25-21-4-2-3-7-30(21)22/h2-4,7,10-14,16H,5-6,8-9H2,1H3,(H,26,28).
What are the key properties of 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 490.55 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146590452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).