4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol

C21H25FN4O — CID 170614406

IUPAC4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
SMILESCc1cc(-c2ccnc3[nH]cc(F)c23)ncc1C1(O)C(C)CN(C)CC1C
InChIInChI=1S/C21H25FN4O/c1-12-7-18(15-5-6-23-20-19(15)17(22)9-25-20)24-8-16(12)21(27)13(2)10-26(4)11-14(21)3/h5-9,13-14,27H,10-11H2,1-4H3,(H,23,25)
InChIKeyMTVRSDMHBUWLIR-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.48
Rot. Bonds2

About 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol

4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol (PubChem CID 170614406) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
PubChem CID170614406
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol
SMILESCc1cc(-c2ccnc3[nH]cc(F)c23)ncc1C1(O)C(C)CN(C)CC1C
InChIInChI=1S/C21H25FN4O/c1-12-7-18(15-5-6-23-20-19(15)17(22)9-25-20)24-8-16(12)21(27)13(2)10-26(4)11-14(21)3/h5-9,13-14,27H,10-11H2,1-4H3,(H,23,25)
InChIKeyMTVRSDMHBUWLIR-UHFFFAOYSA-N
XLogP3.48
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol (CID 170614406) is 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol is Cc1cc(-c2ccnc3[nH]cc(F)c23)ncc1C1(O)C(C)CN(C)CC1C.
What is the InChIKey of 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol?
The InChIKey is MTVRSDMHBUWLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-12-7-18(15-5-6-23-20-19(15)17(22)9-25-20)24-8-16(12)21(27)13(2)10-26(4)11-14(21)3/h5-9,13-14,27H,10-11H2,1-4H3,(H,23,25).
What are the key properties of 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol?
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol has a molecular weight of 368.46 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-methyl-3-pyridinyl]-1,3,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 170614406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).