2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole

C22H19N5S — CID 58540765

IUPAC2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCc1ccc(C)n1-c1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C22H19N5S/c1-14-5-6-15(2)27(14)20-4-3-9-24-22(20)16-7-8-18-17(12-16)19(26-25-18)13-21-23-10-11-28-21/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyJTUWVAYUOFCENO-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.08
Rot. Bonds4

About 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole

2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole (PubChem CID 58540765) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole
PubChem CID58540765
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC Name2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole
SMILESCc1ccc(C)n1-c1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1
InChIInChI=1S/C22H19N5S/c1-14-5-6-15(2)27(14)20-4-3-9-24-22(20)16-7-8-18-17(12-16)19(26-25-18)13-21-23-10-11-28-21/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyJTUWVAYUOFCENO-UHFFFAOYSA-N
XLogP5.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431487
N-(1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 127048931
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033963
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
US11530210, Example 68
CID 155388660
US11530210, Example 70
CID 155388716
5-(7-propyl-2H-indazol-3-yl)-1,3-thiazole
CID 127038342

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole (CID 58540765) is 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole is Cc1ccc(C)n1-c1cccnc1-c1ccc2n[nH]c(Cc3nccs3)c2c1.
What is the InChIKey of 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole?
The InChIKey is JTUWVAYUOFCENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c1-14-5-6-15(2)27(14)20-4-3-9-24-22(20)16-7-8-18-17(12-16)19(26-25-18)13-21-23-10-11-28-21/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole?
2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole has a molecular weight of 385.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 58540765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).