6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine

C26H25FN6 — CID 110264698

IUPAC6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccn2)c2nc(C3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12
InChIInChI=1S/C26H25FN6/c1-17-20-9-10-22(29-26(20)33(30-17)25-7-3-4-12-28-25)24-6-5-13-32(24)16-18-15-31(2)23-11-8-19(27)14-21(18)23/h3-4,7-12,14-15,24H,5-6,13,16H2,1-2H3
InChIKeyBQTGMLDEOKJJMJ-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.09
Rot. Bonds4

About 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine

6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 110264698) has the molecular formula C26H25FN6 and a molecular weight of 440.53 g/mol. Its IUPAC name is 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine
PubChem CID110264698
Molecular FormulaC26H25FN6
Molecular Weight440.53 g/mol
Exact Mass440.21
IUPAC Name6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccn2)c2nc(C3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12
InChIInChI=1S/C26H25FN6/c1-17-20-9-10-22(29-26(20)33(30-17)25-7-3-4-12-28-25)24-6-5-13-32(24)16-18-15-31(2)23-11-8-19(27)14-21(18)23/h3-4,7-12,14-15,24H,5-6,13,16H2,1-2H3
InChIKeyBQTGMLDEOKJJMJ-UHFFFAOYSA-N
XLogP5.09
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine (CID 110264698) is 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccn2)c2nc(C3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12.
What is the InChIKey of 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is BQTGMLDEOKJJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6/c1-17-20-9-10-22(29-26(20)33(30-17)25-7-3-4-12-28-25)24-6-5-13-32(24)16-18-15-31(2)23-11-8-19(27)14-21(18)23/h3-4,7-12,14-15,24H,5-6,13,16H2,1-2H3.
What are the key properties of 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine?
6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 440.53 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 110264698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).