N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C22H19N7O3S — CID 58925681

IUPACN-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc2cc(-c3cncn3-c3n[nH]c4nc(NC(=O)C5CC5)sc34)c(OC)nc2c1
InChIInChI=1S/C22H19N7O3S/c1-31-13-6-5-12-7-14(21(32-2)24-15(12)8-13)16-9-23-10-29(16)19-17-18(27-28-19)25-22(33-17)26-20(30)11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,25,26,27,28,30)
InChIKeyLYBWYJWBSQVUJA-UHFFFAOYSA-N
MW461.51 g/mol
LogP3.79
Rot. Bonds6

About N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925681) has the molecular formula C22H19N7O3S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID58925681
Molecular FormulaC22H19N7O3S
Molecular Weight461.51 g/mol
Exact Mass461.13
IUPAC NameN-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCOc1ccc2cc(-c3cncn3-c3n[nH]c4nc(NC(=O)C5CC5)sc34)c(OC)nc2c1
InChIInChI=1S/C22H19N7O3S/c1-31-13-6-5-12-7-14(21(32-2)24-15(12)8-13)16-9-23-10-29(16)19-17-18(27-28-19)25-22(33-17)26-20(30)11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,25,26,27,28,30)
InChIKeyLYBWYJWBSQVUJA-UHFFFAOYSA-N
XLogP3.79
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925681) is N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is COc1ccc2cc(-c3cncn3-c3n[nH]c4nc(NC(=O)C5CC5)sc34)c(OC)nc2c1.
What is the InChIKey of N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is LYBWYJWBSQVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3S/c1-31-13-6-5-12-7-14(21(32-2)24-15(12)8-13)16-9-23-10-29(16)19-17-18(27-28-19)25-22(33-17)26-20(30)11-3-4-11/h5-11H,3-4H2,1-2H3,(H2,25,26,27,28,30).
What are the key properties of N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 461.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,7-dimethoxyquinolin-3-yl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).