[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

C23H19FN4O2S — CID 154975710

IUPAC[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESO=S(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H19FN4O2S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)31(30)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2
InChIKeyWFHFCEVPWGTLOA-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.53
Rot. Bonds5

About [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (PubChem CID 154975710) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
PubChem CID154975710
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC Name[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESO=S(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H19FN4O2S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)31(30)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2
InChIKeyWFHFCEVPWGTLOA-UHFFFAOYSA-N
XLogP3.53
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The IUPAC name of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (CID 154975710) is [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.
What is the SMILES notation for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The canonical SMILES for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is O=S(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The InChIKey is WFHFCEVPWGTLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)31(30)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2.
What are the key properties of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol has a molecular weight of 434.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is sourced from PubChem (CID 154975710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).