3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol

C19H16FN5O2 — CID 162760935

IUPAC3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
SMILESCn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23)
InChIKeyMOTWWFVKUWIKMC-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.38
Rot. Bonds3

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

3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol (PubChem CID 162760935) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
PubChem CID162760935
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
SMILESCn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23)
InChIKeyMOTWWFVKUWIKMC-UHFFFAOYSA-N
XLogP2.38
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
CID 175920695
5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
CID 175460069
4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760858
4-[1-methyl-3-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760917
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137161462
lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
CID 162760827
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137028714
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162761018
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The IUPAC name of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol (CID 162760935) is 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol.
What is the SMILES notation for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol is Cn1cc(-c2ccnc3[nH]c(C4(O)COC4)cc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
The InChIKey is MOTWWFVKUWIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-8-14(17(24-25)15-3-2-11(20)7-22-15)12-4-5-21-18-13(12)6-16(23-18)19(26)9-27-10-19/h2-8,26H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol?
3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol has a molecular weight of 365.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol is sourced from PubChem (CID 162760935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).