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

C20H18N6OS — CID 90720203

IUPACN'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1OCc1ccccc1
InChIInChI=1S/C20H18N6OS/c1-13-16(15-9-5-6-10-26(15)25-13)20-24-19(17(28-20)18(22)23-12-21)27-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H3,21,22,23)
InChIKeyFMQHLVIQQYRJHB-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.66
Rot. Bonds6

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

N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide (PubChem CID 90720203) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
PubChem CID90720203
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1OCc1ccccc1
InChIInChI=1S/C20H18N6OS/c1-13-16(15-9-5-6-10-26(15)25-13)20-24-19(17(28-20)18(22)23-12-21)27-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H3,21,22,23)
InChIKeyFMQHLVIQQYRJHB-UHFFFAOYSA-N
XLogP3.66
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide (CID 90720203) is N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide is [H]/N=C/N=C(\N)c1sc(-c2c(C)nn3ccccc23)nc1OCc1ccccc1.
What is the InChIKey of N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide?
The InChIKey is FMQHLVIQQYRJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-13-16(15-9-5-6-10-26(15)25-13)20-24-19(17(28-20)18(22)23-12-21)27-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H3,21,22,23).
What are the key properties of N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide?
N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide has a molecular weight of 390.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 90720203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).