7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine

C15H13FN6 — CID 141301477

IUPAC7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine
SMILESCn1cc(-c2nc(-c3cnn(C)c3)c3c(c2F)CN=C3)cn1
InChIInChI=1S/C15H13FN6/c1-21-7-9(3-18-21)14-12-6-17-5-11(12)13(16)15(20-14)10-4-19-22(2)8-10/h3-4,6-8H,5H2,1-2H3
InChIKeyYNDKPEUZTHRYLL-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.95
Rot. Bonds2

About 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine

7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine (PubChem CID 141301477) has the molecular formula C15H13FN6 and a molecular weight of 296.31 g/mol. Its IUPAC name is 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine
PubChem CID141301477
Molecular FormulaC15H13FN6
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine
SMILESCn1cc(-c2nc(-c3cnn(C)c3)c3c(c2F)CN=C3)cn1
InChIInChI=1S/C15H13FN6/c1-21-7-9(3-18-21)14-12-6-17-5-11(12)13(16)15(20-14)10-4-19-22(2)8-10/h3-4,6-8H,5H2,1-2H3
InChIKeyYNDKPEUZTHRYLL-UHFFFAOYSA-N
XLogP1.95
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)-1H-pyrazole
CID 134329154
2,3,4-trifluoro-5-(1-methylpyrazol-4-yl)aniline
CID 165495372
1-tert-butyl-5-chloro-4-fluoro-3-(1-methylpyrazol-4-yl)pyrazole
CID 153409958
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
7-fluoro-6-methoxy-4-propan-2-yl-1H-isoindole
CID 170093989
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815
6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
CID 175460538
ethane;4-fluoro-1-methylpyrazole
CID 177338163
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222604
2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
CID 39818400

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine (CID 141301477) is 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine is Cn1cc(-c2nc(-c3cnn(C)c3)c3c(c2F)CN=C3)cn1.
What is the InChIKey of 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is YNDKPEUZTHRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6/c1-21-7-9(3-18-21)14-12-6-17-5-11(12)13(16)15(20-14)10-4-19-22(2)8-10/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine?
7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 296.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,6-bis(1-methylpyrazol-4-yl)-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 141301477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).