2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H18ClN7OS — CID 24954815

IUPAC2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2nc(Cl)c3ccccc32)n1
InChIInChI=1S/C20H18ClN7OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H,24,29)
InChIKeyGGVUVBFWHNXCQI-UHFFFAOYSA-N
MW439.93 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24954815) has the molecular formula C20H18ClN7OS and a molecular weight of 439.93 g/mol. Its IUPAC name is 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24954815
Molecular FormulaC20H18ClN7OS
Molecular Weight439.93 g/mol
Exact Mass439.10
IUPAC Name2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2nc(Cl)c3ccccc32)n1
InChIInChI=1S/C20H18ClN7OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H,24,29)
InChIKeyGGVUVBFWHNXCQI-UHFFFAOYSA-N
XLogP3.19
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24954815) is 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2nc(Cl)c3ccccc32)n1.
What is the InChIKey of 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GGVUVBFWHNXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H,24,29).
What are the key properties of 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 439.93 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24954815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).