3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C21H17FN6 — CID 71818271

IUPAC3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccc(F)cc5)c4)c3c2)cn1
InChIInChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyMGARIFYNPCFMQT-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.01
Rot. Bonds4

About 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71818271) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71818271
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccc(F)cc5)c4)c3c2)cn1
InChIInChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyMGARIFYNPCFMQT-UHFFFAOYSA-N
XLogP4.01
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 71818271) is 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccc(F)cc5)c4)c3c2)cn1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MGARIFYNPCFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71818271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).