3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C24H17FN6 — CID 137112975

IUPAC3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C24H17FN6/c1-31-13-15(11-27-31)21-10-19-23(12-26-21)29-30-24(19)22-9-18-17(3-2-4-20(18)28-22)14-5-7-16(25)8-6-14/h2-13,28H,1H3,(H,29,30)
InChIKeyRLTREWGFTXOIFL-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.31
Rot. Bonds3

About 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137112975) has the molecular formula C24H17FN6 and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137112975
Molecular FormulaC24H17FN6
Molecular Weight408.44 g/mol
Exact Mass408.15
IUPAC Name3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C24H17FN6/c1-31-13-15(11-27-31)21-10-19-23(12-26-21)29-30-24(19)22-9-18-17(3-2-4-20(18)28-22)14-5-7-16(25)8-6-14/h2-13,28H,1H3,(H,29,30)
InChIKeyRLTREWGFTXOIFL-UHFFFAOYSA-N
XLogP5.31
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137369492
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113403
5-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116608
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137113395
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137113293
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116586
3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol
CID 137113726
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 138603619
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137143019
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 137369454

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137112975) is 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cn1cc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cn2)cn1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RLTREWGFTXOIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6/c1-31-13-15(11-27-31)21-10-19-23(12-26-21)29-30-24(19)22-9-18-17(3-2-4-20(18)28-22)14-5-7-16(25)8-6-14/h2-13,28H,1H3,(H,29,30).
What are the key properties of 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 408.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137112975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).