2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide

C24H27ClN8OS — CID 87420077

IUPAC2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(Cc2cnc(Nc3n[nH]c4ccc(-c5ncccc5Cl)cc34)s2)CC1
InChIInChI=1S/C24H27ClN8OS/c1-31(2)21(34)15-33-10-8-32(9-11-33)14-17-13-27-24(35-17)28-23-18-12-16(5-6-20(18)29-30-23)22-19(25)4-3-7-26-22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H2,27,28,29,30)
InChIKeyICARKKNVNZVBSY-UHFFFAOYSA-N
MW511.06 g/mol
LogP3.68
Rot. Bonds7

About 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 87420077) has the molecular formula C24H27ClN8OS and a molecular weight of 511.06 g/mol. Its IUPAC name is 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID87420077
Molecular FormulaC24H27ClN8OS
Molecular Weight511.06 g/mol
Exact Mass510.17
IUPAC Name2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(Cc2cnc(Nc3n[nH]c4ccc(-c5ncccc5Cl)cc34)s2)CC1
InChIInChI=1S/C24H27ClN8OS/c1-31(2)21(34)15-33-10-8-32(9-11-33)14-17-13-27-24(35-17)28-23-18-12-16(5-6-20(18)29-30-23)22-19(25)4-3-7-26-22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H2,27,28,29,30)
InChIKeyICARKKNVNZVBSY-UHFFFAOYSA-N
XLogP3.68
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.06
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 86660043
[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
CID 86660015
N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 87418818
2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 58540844
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 163368413
N,N-dimethyl-2-[4-[[2-[7-(propan-2-ylamino)-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 67766163
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25066896
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390930
N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381095
5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390932
5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-[3-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
CID 118382148

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 87420077) is 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(Cc2cnc(Nc3n[nH]c4ccc(-c5ncccc5Cl)cc34)s2)CC1.
What is the InChIKey of 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is ICARKKNVNZVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8OS/c1-31(2)21(34)15-33-10-8-32(9-11-33)14-17-13-27-24(35-17)28-23-18-12-16(5-6-20(18)29-30-23)22-19(25)4-3-7-26-22/h3-7,12-13H,8-11,14-15H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 511.06 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 87420077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).