phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol

C23H26N4O3S — CID 162773094

IUPACphenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
SMILESO=S(=O)(C1CCC(n2cccn2)CC1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H26N4O3S/c28-23(17-5-2-1-3-6-17)22-13-18-15-26(16-19(18)14-24-22)31(29,30)21-9-7-20(8-10-21)27-12-4-11-25-27/h1-6,11-14,20-21,23,28H,7-10,15-16H2
InChIKeySIDOVQFFGGWIMV-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.19
Rot. Bonds5

About phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol

phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol (PubChem CID 162773094) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol.

Molecular Properties

Compound Namephenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
PubChem CID162773094
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Namephenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
SMILESO=S(=O)(C1CCC(n2cccn2)CC1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H26N4O3S/c28-23(17-5-2-1-3-6-17)22-13-18-15-26(16-19(18)14-24-22)31(29,30)21-9-7-20(8-10-21)27-12-4-11-25-27/h1-6,11-14,20-21,23,28H,7-10,15-16H2
InChIKeySIDOVQFFGGWIMV-UHFFFAOYSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The IUPAC name of phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol (CID 162773094) is phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol.
What is the SMILES notation for phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The canonical SMILES for phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol is O=S(=O)(C1CCC(n2cccn2)CC1)N1Cc2cnc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
The InChIKey is SIDOVQFFGGWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(17-5-2-1-3-6-17)22-13-18-15-26(16-19(18)14-24-22)31(29,30)21-9-7-20(8-10-21)27-12-4-11-25-27/h1-6,11-14,20-21,23,28H,7-10,15-16H2.
What are the key properties of phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol?
phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol has a molecular weight of 438.55 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol is sourced from PubChem (CID 162773094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).