N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C16H11Cl2N7OS — CID 58925759

IUPACN-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cc(Cl)cnc3Cl)c2s1)C1CC1
InChIInChI=1S/C16H11Cl2N7OS/c17-8-3-9(12(18)20-4-8)10-5-19-6-25(10)14-11-13(23-24-14)21-16(27-11)22-15(26)7-1-2-7/h3-7H,1-2H2,(H2,21,22,23,24,26)
InChIKeyANHUVYZEIOVYBY-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.92
Rot. Bonds4

About N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925759) has the molecular formula C16H11Cl2N7OS and a molecular weight of 420.29 g/mol. Its IUPAC name is N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925759
Molecular FormulaC16H11Cl2N7OS
Molecular Weight420.29 g/mol
Exact Mass419.01
IUPAC NameN-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2[nH]nc(-n3cncc3-c3cc(Cl)cnc3Cl)c2s1)C1CC1
InChIInChI=1S/C16H11Cl2N7OS/c17-8-3-9(12(18)20-4-8)10-5-19-6-25(10)14-11-13(23-24-14)21-16(27-11)22-15(26)7-1-2-7/h3-7H,1-2H2,(H2,21,22,23,24,26)
InChIKeyANHUVYZEIOVYBY-UHFFFAOYSA-N
XLogP3.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925759) is N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3cc(Cl)cnc3Cl)c2s1)C1CC1.
What is the InChIKey of N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is ANHUVYZEIOVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N7OS/c17-8-3-9(12(18)20-4-8)10-5-19-6-25(10)14-11-13(23-24-14)21-16(27-11)22-15(26)7-1-2-7/h3-7H,1-2H2,(H2,21,22,23,24,26).
What are the key properties of N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 420.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,5-dichloro-3-pyridinyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).