7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine

C20H19ClN6O2S — CID 167220168

IUPAC7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnn(C3CCNCC3)c2)c2cc(Cl)nnc21
InChIInChI=1S/C20H19ClN6O2S/c21-19-10-17-18(14-11-23-26(12-14)15-6-8-22-9-7-15)13-27(20(17)25-24-19)30(28,29)16-4-2-1-3-5-16/h1-5,10-13,15,22H,6-9H2
InChIKeyBCAUZEQTPRMAJL-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.11
Rot. Bonds4

About 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine

7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine (PubChem CID 167220168) has the molecular formula C20H19ClN6O2S and a molecular weight of 442.93 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine
PubChem CID167220168
Molecular FormulaC20H19ClN6O2S
Molecular Weight442.93 g/mol
Exact Mass442.10
IUPAC Name7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnn(C3CCNCC3)c2)c2cc(Cl)nnc21
InChIInChI=1S/C20H19ClN6O2S/c21-19-10-17-18(14-11-23-26(12-14)15-6-8-22-9-7-15)13-27(20(17)25-24-19)30(28,29)16-4-2-1-3-5-16/h1-5,10-13,15,22H,6-9H2
InChIKeyBCAUZEQTPRMAJL-UHFFFAOYSA-N
XLogP3.11
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(benzenesulfonyl)-3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 141371571
3-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]azetidine-1-carboxamide
CID 118060632
4-[5-[1-(benzenesulfonyl)-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-3-methyl-2-pyridinyl]morpholine
CID 170065512
1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
5-[4-(azetidin-1-yl)cyclohexyl]-1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59238703
3-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]-N-methylcyclobutane-1-carboxamide
CID 118060230
1-(benzenesulfonyl)-6-fluoro-3-[1-[1-(4-methylsulfonylbutyl)piperidin-4-yl]pyrazol-4-yl]indole
CID 118064883
4-[1-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]propyl]-1-methylcyclohexan-1-amine
CID 68969380
bis(1-(benzenesulfonyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine);4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;methane;methanol;1-methylpiperazine;hydrochloride
CID 159412562
4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
CID 166611106
4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1-propan-2-ylcyclohexan-1-amine
CID 68971600
2-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-4-piperidin-4-yl-1,3-thiazole
CID 143731541

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine?
The IUPAC name of 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine (CID 167220168) is 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine is O=S(=O)(c1ccccc1)n1cc(-c2cnn(C3CCNCC3)c2)c2cc(Cl)nnc21.
What is the InChIKey of 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine?
The InChIKey is BCAUZEQTPRMAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2S/c21-19-10-17-18(14-11-23-26(12-14)15-6-8-22-9-7-15)13-27(20(17)25-24-19)30(28,29)16-4-2-1-3-5-16/h1-5,10-13,15,22H,6-9H2.
What are the key properties of 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine?
7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine has a molecular weight of 442.93 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-chloro-5-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 167220168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).