6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol

C17H16FN5O — CID 126658955

IUPAC6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol
SMILESCn1cc(-c2cnc(CN3Cc4cccnc4C3O)c(F)c2)cn1
InChIInChI=1S/C17H16FN5O/c1-22-8-13(7-21-22)12-5-14(18)15(20-6-12)10-23-9-11-3-2-4-19-16(11)17(23)24/h2-8,17,24H,9-10H2,1H3
InChIKeyYTCNYSDLNKDANC-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.02
Rot. Bonds3

About 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol

6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol (PubChem CID 126658955) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol
PubChem CID126658955
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol
SMILESCn1cc(-c2cnc(CN3Cc4cccnc4C3O)c(F)c2)cn1
InChIInChI=1S/C17H16FN5O/c1-22-8-13(7-21-22)12-5-14(18)15(20-6-12)10-23-9-11-3-2-4-19-16(11)17(23)24/h2-8,17,24H,9-10H2,1H3
InChIKeyYTCNYSDLNKDANC-UHFFFAOYSA-N
XLogP2.02
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol?
The IUPAC name of 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol (CID 126658955) is 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol.
What is the SMILES notation for 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol?
The canonical SMILES for 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol is Cn1cc(-c2cnc(CN3Cc4cccnc4C3O)c(F)c2)cn1.
What is the InChIKey of 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol?
The InChIKey is YTCNYSDLNKDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-22-8-13(7-21-22)12-5-14(18)15(20-6-12)10-23-9-11-3-2-4-19-16(11)17(23)24/h2-8,17,24H,9-10H2,1H3.
What are the key properties of 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol?
6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol has a molecular weight of 325.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol is sourced from PubChem (CID 126658955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).