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

C22H27FN4O — CID 91352363

IUPAC2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol
SMILESCCC(C)(O)C1CN(c2ccc(F)c(-c3c[nH]c4ncccc34)n2)CCC1C
InChIInChI=1S/C22H27FN4O/c1-4-22(3,28)17-13-27(11-9-14(17)2)19-8-7-18(23)20(26-19)16-12-25-21-15(16)6-5-10-24-21/h5-8,10,12,14,17,28H,4,9,11,13H2,1-3H3,(H,24,25)
InChIKeyKFSZKXXOPXZDMS-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.39
Rot. Bonds4

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

2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol (PubChem CID 91352363) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol
PubChem CID91352363
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol
SMILESCCC(C)(O)C1CN(c2ccc(F)c(-c3c[nH]c4ncccc34)n2)CCC1C
InChIInChI=1S/C22H27FN4O/c1-4-22(3,28)17-13-27(11-9-14(17)2)19-8-7-18(23)20(26-19)16-12-25-21-15(16)6-5-10-24-21/h5-8,10,12,14,17,28H,4,9,11,13H2,1-3H3,(H,24,25)
InChIKeyKFSZKXXOPXZDMS-UHFFFAOYSA-N
XLogP4.39
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol with MolForge

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Related Compounds

4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
(R)-2-((S)-4-(3,5-difluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53308750
N-(3-Fluoropyridin-4-YL)-2-(6-methylpyridin-2-YL)-7H-pyrrolo[2,3-D]pyrimidin-4-amine
CID 126537506
N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 138454304
4-Butyl-6-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine
CID 25110819
2-{4-[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl}propan-1-ol
CID 24888088
(2R)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583135
(2S)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583137
2-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)ethanol
CID 137636621
4-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]butan-1-ol
CID 137642583
N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647030

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol?
The IUPAC name of 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol (CID 91352363) is 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol.
What is the SMILES notation for 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol?
The canonical SMILES for 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol is CCC(C)(O)C1CN(c2ccc(F)c(-c3c[nH]c4ncccc34)n2)CCC1C.
What is the InChIKey of 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol?
The InChIKey is KFSZKXXOPXZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-4-22(3,28)17-13-27(11-9-14(17)2)19-8-7-18(23)20(26-19)16-12-25-21-15(16)6-5-10-24-21/h5-8,10,12,14,17,28H,4,9,11,13H2,1-3H3,(H,24,25).
What are the key properties of 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol?
2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol has a molecular weight of 382.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]-4-methylpiperidin-3-yl]butan-2-ol is sourced from PubChem (CID 91352363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).