6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol

C19H19FN4O — CID 170614348

IUPAC6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCc1nc(-c2ccnc3[nH]cc(F)c23)ccc1C1(O)CC2(CNC2)C1
InChIInChI=1S/C19H19FN4O/c1-11-13(19(25)7-18(8-19)9-21-10-18)2-3-15(24-11)12-4-5-22-17-16(12)14(20)6-23-17/h2-6,21,25H,7-10H2,1H3,(H,22,23)
InChIKeyHRUGIBOXSHGALV-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.64
Rot. Bonds2

About 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol

6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 170614348) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID170614348
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCc1nc(-c2ccnc3[nH]cc(F)c23)ccc1C1(O)CC2(CNC2)C1
InChIInChI=1S/C19H19FN4O/c1-11-13(19(25)7-18(8-19)9-21-10-18)2-3-15(24-11)12-4-5-22-17-16(12)14(20)6-23-17/h2-6,21,25H,7-10H2,1H3,(H,22,23)
InChIKeyHRUGIBOXSHGALV-UHFFFAOYSA-N
XLogP2.64
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol (CID 170614348) is 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol is Cc1nc(-c2ccnc3[nH]cc(F)c23)ccc1C1(O)CC2(CNC2)C1.
What is the InChIKey of 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is HRUGIBOXSHGALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-11-13(19(25)7-18(8-19)9-21-10-18)2-3-15(24-11)12-4-5-22-17-16(12)14(20)6-23-17/h2-6,21,25H,7-10H2,1H3,(H,22,23).
What are the key properties of 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol?
6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 338.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methyl-3-pyridinyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 170614348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).