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

C20H16FN7 — CID 139552543

IUPAC4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C20H16FN7/c1-27-25-10-15(26-27)11-28-12-24-18(13-2-4-14(21)5-3-13)19(28)16-6-8-22-20-17(16)7-9-23-20/h2-10,12H,11H2,1H3,(H,22,23)
InChIKeyZKHSQUPNDSJCJE-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.41
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139552543) has the molecular formula C20H16FN7 and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID139552543
Molecular FormulaC20H16FN7
Molecular Weight373.40 g/mol
Exact Mass373.15
IUPAC Name4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C20H16FN7/c1-27-25-10-15(26-27)11-28-12-24-18(13-2-4-14(21)5-3-13)19(28)16-6-8-22-20-17(16)7-9-23-20/h2-10,12H,11H2,1H3,(H,22,23)
InChIKeyZKHSQUPNDSJCJE-UHFFFAOYSA-N
XLogP3.41
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 139553745
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552481
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 161297089
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166991085
N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
CID 139552341
3-(dimethylamino)-1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
CID 139552383
1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]ethenesulfonamide
CID 175714717
6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016727

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 139552543) is 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZKHSQUPNDSJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7/c1-27-25-10-15(26-27)11-28-12-24-18(13-2-4-14(21)5-3-13)19(28)16-6-8-22-20-17(16)7-9-23-20/h2-10,12H,11H2,1H3,(H,22,23).
What are the key properties of 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 373.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139552543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).