N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide

C19H16N6OS — CID 136659889

IUPACN'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)[nH]n3ccc(=O)cc23)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-11-15(14-9-13(26)7-8-25(14)24-11)19-23-16(12-5-3-2-4-6-12)17(27-19)18(21)22-10-20/h2-10,24H,1H3,(H3,20,21,22)
InChIKeyIWPINFYFSQXYNP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.04
Rot. Bonds4

About N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide

N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide (PubChem CID 136659889) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide
PubChem CID136659889
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)[nH]n3ccc(=O)cc23)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-11-15(14-9-13(26)7-8-25(14)24-11)19-23-16(12-5-3-2-4-6-12)17(27-19)18(21)22-10-20/h2-10,24H,1H3,(H3,20,21,22)
InChIKeyIWPINFYFSQXYNP-UHFFFAOYSA-N
XLogP3.04
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
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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Related Compounds

4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide
CID 90913144
2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide
CID 91044398
N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
CID 90720203
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
4-(2-fluoro-6-methoxyphenyl)-N'-methanimidoyl-2-[2-methyl-5-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-5-carboximidamide
CID 91058040
2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 66856088
4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855299
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 170588418
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine
CID 160941778
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide (CID 136659889) is N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide is [H]/N=C/N=C(\N)c1sc(-c2c(C)[nH]n3ccc(=O)cc23)nc1-c1ccccc1.
What is the InChIKey of N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide?
The InChIKey is IWPINFYFSQXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11-15(14-9-13(26)7-8-25(14)24-11)19-23-16(12-5-3-2-4-6-12)17(27-19)18(21)22-10-20/h2-10,24H,1H3,(H3,20,21,22).
What are the key properties of N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide?
N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide has a molecular weight of 376.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2-(2-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 136659889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).