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

C21H17FN6 — CID 161039948

IUPAC3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(C4=NCC(Cc5ccccc5F)=N4)c3c2)cn1
InChIInChI=1S/C21H17FN6/c1-28-12-15(9-26-28)14-7-17-18(11-25-20(17)23-8-14)21-24-10-16(27-21)6-13-4-2-3-5-19(13)22/h2-5,7-9,11-12H,6,10H2,1H3,(H,23,25)
InChIKeyUATBUYBYXWEHSB-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.55
Rot. Bonds4

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

3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161039948) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID161039948
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(C4=NCC(Cc5ccccc5F)=N4)c3c2)cn1
InChIInChI=1S/C21H17FN6/c1-28-12-15(9-26-28)14-7-17-18(11-25-20(17)23-8-14)21-24-10-16(27-21)6-13-4-2-3-5-19(13)22/h2-5,7-9,11-12H,6,10H2,1H3,(H,23,25)
InChIKeyUATBUYBYXWEHSB-UHFFFAOYSA-N
XLogP3.55
TPSA71.22 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 57344834
4-N-benzyl-4-N-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335419
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 58086089
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 160994061
3-(N-[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-2-chloroanilino)propanoic acid
CID 57335706
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161039948) is 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(C4=NCC(Cc5ccccc5F)=N4)c3c2)cn1.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UATBUYBYXWEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c1-28-12-15(9-26-28)14-7-17-18(11-25-20(17)23-8-14)21-24-10-16(27-21)6-13-4-2-3-5-19(13)22/h2-5,7-9,11-12H,6,10H2,1H3,(H,23,25).
What are the key properties of 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).