2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone

C23H22N6OS — CID 10137566

IUPAC2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H22N6OS/c30-22(28-14-12-27(13-15-28)20-8-4-5-10-24-20)21(17-6-2-1-3-7-17)29-11-9-19-18(23(29)31)16-25-26-19/h1-11,16,21H,12-15H2,(H,25,26)
InChIKeyFIVRTVDZLXWIKR-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.43
Rot. Bonds4

About 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone

2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 10137566) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID10137566
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H22N6OS/c30-22(28-14-12-27(13-15-28)20-8-4-5-10-24-20)21(17-6-2-1-3-7-17)29-11-9-19-18(23(29)31)16-25-26-19/h1-11,16,21H,12-15H2,(H,25,26)
InChIKeyFIVRTVDZLXWIKR-UHFFFAOYSA-N
XLogP3.43
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
1,3-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-5-carboxamide
CID 46231351
1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 53321614
9-(4,6-dimethylpyrimidin-2-yl)-2-[(4-phenyl-1H-pyrazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 67289227
2-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-5-yl]acetamide
CID 71254053
3-cyclopropyl-1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484406
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-propan-2-ylpiperazin-2-one
CID 155484594
1,3,6-trimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]piperazin-2-one
CID 155484598
2-phenyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118381321
1H-Pyrazole-3-carboxamide, 5-phenyl-N-2-pyridinyl-
CID 1859668
(1-Benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9439395

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 10137566) is 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is FIVRTVDZLXWIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-22(28-14-12-27(13-15-28)20-8-4-5-10-24-20)21(17-6-2-1-3-7-17)29-11-9-19-18(23(29)31)16-25-26-19/h1-11,16,21H,12-15H2,(H,25,26).
What are the key properties of 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 430.54 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 10137566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).