2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide

C24H23N7OS — CID 143666199

IUPAC2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1N1CCNCC1)c1csc(N2NCc3ccccc32)n1
InChIInChI=1S/C24H23N7OS/c32-23(20-15-33-24(29-20)31-21-8-4-1-5-16(21)13-27-31)28-19-14-26-18-7-3-2-6-17(18)22(19)30-11-9-25-10-12-30/h1-8,14-15,25,27H,9-13H2,(H,28,32)
InChIKeyIVLQIFVFHXPFLC-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.51
Rot. Bonds4

About 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 143666199) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID143666199
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1N1CCNCC1)c1csc(N2NCc3ccccc32)n1
InChIInChI=1S/C24H23N7OS/c32-23(20-15-33-24(29-20)31-21-8-4-1-5-16(21)13-27-31)28-19-14-26-18-7-3-2-6-17(18)22(19)30-11-9-25-10-12-30/h1-8,14-15,25,27H,9-13H2,(H,28,32)
InChIKeyIVLQIFVFHXPFLC-UHFFFAOYSA-N
XLogP3.51
TPSA85.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide
CID 90815737
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332116
N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide
CID 177373984
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332357
2-(benzylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967756
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
2-[6-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59332426
2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956610
2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90892435
N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane
CID 158472837

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide (CID 143666199) is 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnc2ccccc2c1N1CCNCC1)c1csc(N2NCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IVLQIFVFHXPFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c32-23(20-15-33-24(29-20)31-21-8-4-1-5-16(21)13-27-31)28-19-14-26-18-7-3-2-6-17(18)22(19)30-11-9-25-10-12-30/h1-8,14-15,25,27H,9-13H2,(H,28,32).
What are the key properties of 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindazol-1-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143666199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).