N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

C25H23N7OS — CID 59332366

IUPACN-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(n2ccnc2)CC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C25H23N7OS/c33-24(21-16-34-25(29-21)32-22-7-3-1-5-18(22)15-27-32)28-20-6-2-4-8-23(20)30-12-9-19(10-13-30)31-14-11-26-17-31/h1-8,11,14-17,19H,9-10,12-13H2,(H,28,33)
InChIKeyCIKSVAMKLPEWGX-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 59332366) has the molecular formula C25H23N7OS and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID59332366
Molecular FormulaC25H23N7OS
Molecular Weight469.57 g/mol
Exact Mass469.17
IUPAC NameN-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(n2ccnc2)CC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C25H23N7OS/c33-24(21-16-34-25(29-21)32-22-7-3-1-5-18(22)15-27-32)28-20-6-2-4-8-23(20)30-12-9-19(10-13-30)31-14-11-26-17-31/h1-8,11,14-17,19H,9-10,12-13H2,(H,28,33)
InChIKeyCIKSVAMKLPEWGX-UHFFFAOYSA-N
XLogP4.77
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (CID 59332366) is N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC(n2ccnc2)CC1)c1csc(-n2ncc3ccccc32)n1.
What is the InChIKey of N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CIKSVAMKLPEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7OS/c33-24(21-16-34-25(29-21)32-22-7-3-1-5-18(22)15-27-32)28-20-6-2-4-8-23(20)30-12-9-19(10-13-30)31-14-11-26-17-31/h1-8,11,14-17,19H,9-10,12-13H2,(H,28,33).
What are the key properties of N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).