4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol

C22H24F2N4OS — CID 170614324

IUPAC4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol
SMILESOC1(c2cnc(-c3ccnc4[nH]cc(F)c34)cc2F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C22H24F2N4OS/c23-17-11-19(15-1-6-25-21-20(15)18(24)13-27-21)26-12-16(17)22(29)4-7-28(8-5-22)14-2-9-30-10-3-14/h1,6,11-14,29H,2-5,7-10H2,(H,25,27)
InChIKeyWDFQEBDJURBKGK-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.08
Rot. Bonds3

About 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol

4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol (PubChem CID 170614324) has the molecular formula C22H24F2N4OS and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol
PubChem CID170614324
Molecular FormulaC22H24F2N4OS
Molecular Weight430.52 g/mol
Exact Mass430.16
IUPAC Name4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol
SMILESOC1(c2cnc(-c3ccnc4[nH]cc(F)c34)cc2F)CCN(C2CCSCC2)CC1
InChIInChI=1S/C22H24F2N4OS/c23-17-11-19(15-1-6-25-21-20(15)18(24)13-27-21)26-12-16(17)22(29)4-7-28(8-5-22)14-2-9-30-10-3-14/h1,6,11-14,29H,2-5,7-10H2,(H,25,27)
InChIKeyWDFQEBDJURBKGK-UHFFFAOYSA-N
XLogP4.08
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol with MolForge

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Related Compounds

4-(3-methylphenyl)-1-[(2-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 46954836
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 70760147
2-(1-(6-(4-hydroxy-1-methylpiperidin-4-yl)pyridin-3-yl)ethylamino)-4-(5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile
CID 57465845
1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]methanol
CID 58087511
[2,6-Difluoro-4-[2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-thiomorpholin-4-ylmethanediol
CID 67110610
4-[5-[1-[[5-amino-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]pyridin-2-yl]-1-methylpiperidin-4-ol
CID 68188532
2-(12-Fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)propan-2-ol
CID 68302698
[2,6-Difluoro-4-[2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-thiomorpholin-4-ylmethanediol
CID 68989393
[2,6-Difluoro-4-[2-(pyridin-4-ylamino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-thiomorpholin-4-ylmethanediol
CID 68989540
[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanol
CID 69130627
1-(4,12-Dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-ol
CID 71007575
2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol
CID 91352363

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol?
The IUPAC name of 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol (CID 170614324) is 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol?
The canonical SMILES for 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol is OC1(c2cnc(-c3ccnc4[nH]cc(F)c34)cc2F)CCN(C2CCSCC2)CC1.
What is the InChIKey of 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol?
The InChIKey is WDFQEBDJURBKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4OS/c23-17-11-19(15-1-6-25-21-20(15)18(24)13-27-21)26-12-16(17)22(29)4-7-28(8-5-22)14-2-9-30-10-3-14/h1,6,11-14,29H,2-5,7-10H2,(H,25,27).
What are the key properties of 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol?
4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol has a molecular weight of 430.52 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-1-(thian-4-yl)piperidin-4-ol is sourced from PubChem (CID 170614324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).