4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide

C19H15FN6S — CID 90913144

IUPAC4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6S/c1-11-15(14-4-2-3-9-26(14)25-11)19-24-16(12-5-7-13(20)8-6-12)17(27-19)18(22)23-10-21/h2-10H,1H3,(H3,21,22,23)
InChIKeyZWRHUSREBRWJAP-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.88
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide

4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide (PubChem CID 90913144) has the molecular formula C19H15FN6S and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide
PubChem CID90913144
Molecular FormulaC19H15FN6S
Molecular Weight378.44 g/mol
Exact Mass378.11
IUPAC Name4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6S/c1-11-15(14-4-2-3-9-26(14)25-11)19-24-16(12-5-7-13(20)8-6-12)17(27-19)18(22)23-10-21/h2-10H,1H3,(H3,21,22,23)
InChIKeyZWRHUSREBRWJAP-UHFFFAOYSA-N
XLogP3.88
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide (CID 90913144) is 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide is [H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide?
The InChIKey is ZWRHUSREBRWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6S/c1-11-15(14-4-2-3-9-26(14)25-11)19-24-16(12-5-7-13(20)8-6-12)17(27-19)18(22)23-10-21/h2-10H,1H3,(H3,21,22,23).
What are the key properties of 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide?
4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide has a molecular weight of 378.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 90913144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).