N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

C25H20F3N7OS — CID 54591063

IUPACN-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2[nH]ncc2cc1-c1cccc(C2CCCN2)c1)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C25H20F3N7OS/c26-25(27,28)22-10-20(34-35-22)24-32-21(12-37-24)23(36)31-19-9-18-15(11-30-33-18)8-16(19)13-3-1-4-14(7-13)17-5-2-6-29-17/h1,3-4,7-12,17,29H,2,5-6H2,(H,30,33)(H,31,36)(H,34,35)
InChIKeyFMWGOYIJEPSGNN-UHFFFAOYSA-N
MW523.54 g/mol
LogP5.77
Rot. Bonds5

About N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide

N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 54591063) has the molecular formula C25H20F3N7OS and a molecular weight of 523.54 g/mol. Its IUPAC name is N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID54591063
Molecular FormulaC25H20F3N7OS
Molecular Weight523.54 g/mol
Exact Mass523.14
IUPAC NameN-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc2[nH]ncc2cc1-c1cccc(C2CCCN2)c1)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C25H20F3N7OS/c26-25(27,28)22-10-20(34-35-22)24-32-21(12-37-24)23(36)31-19-9-18-15(11-30-33-18)8-16(19)13-3-1-4-14(7-13)17-5-2-6-29-17/h1,3-4,7-12,17,29H,2,5-6H2,(H,30,33)(H,31,36)(H,34,35)
InChIKeyFMWGOYIJEPSGNN-UHFFFAOYSA-N
XLogP5.77
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 55.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 54591063) is N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc2[nH]ncc2cc1-c1cccc(C2CCCN2)c1)c1csc(-c2cc(C(F)(F)F)[nH]n2)n1.
What is the InChIKey of N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FMWGOYIJEPSGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7OS/c26-25(27,28)22-10-20(34-35-22)24-32-21(12-37-24)23(36)31-19-9-18-15(11-30-33-18)8-16(19)13-3-1-4-14(7-13)17-5-2-6-29-17/h1,3-4,7-12,17,29H,2,5-6H2,(H,30,33)(H,31,36)(H,34,35).
What are the key properties of N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 5.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-pyrrolidin-2-ylphenyl)-1H-indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 54591063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).