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

C21H16FN5S — CID 139553745

IUPAC5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C21H16FN5S/c1-13-25-10-16(28-13)11-27-12-26-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyNHNLRUBKQGOVDS-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.05
Rot. Bonds4

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

5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 139553745) has the molecular formula C21H16FN5S and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID139553745
Molecular FormulaC21H16FN5S
Molecular Weight389.46 g/mol
Exact Mass389.11
IUPAC Name5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C21H16FN5S/c1-13-25-10-16(28-13)11-27-12-26-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyNHNLRUBKQGOVDS-UHFFFAOYSA-N
XLogP5.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552543
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-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430
4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552481
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
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole (CID 139553745) is 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is NHNLRUBKQGOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5S/c1-13-25-10-16(28-13)11-27-12-26-19(14-2-4-15(22)5-3-14)20(27)17-6-8-23-21-18(17)7-9-24-21/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 389.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 139553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).