2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde

C18H14N4OS — CID 22259253

IUPAC2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
SMILESCc1cc(C)c2n[nH]c(-c3nc(C=O)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C18H14N4OS/c1-10-6-11(2)15-13(7-10)16(22-21-15)18-20-14(9-23)17(24-18)12-4-3-5-19-8-12/h3-9H,1-2H3,(H,21,22)
InChIKeyCVFCFZQJXRIUIV-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.18
Rot. Bonds3

About 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde

2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde (PubChem CID 22259253) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
PubChem CID22259253
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
SMILESCc1cc(C)c2n[nH]c(-c3nc(C=O)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C18H14N4OS/c1-10-6-11(2)15-13(7-10)16(22-21-15)18-20-14(9-23)17(24-18)12-4-3-5-19-8-12/h3-9H,1-2H3,(H,21,22)
InChIKeyCVFCFZQJXRIUIV-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431487
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127038828
6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431536
3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
CID 22480137
N-(2-methyl-1,3-thiazol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431543
(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
CID 154857461
3-methyl-N-[5-[3-[2-(1,3-thiazol-4-yl)ethynyl]-2H-indazol-5-yl]-3-pyridinyl]butanamide
CID 177376429
N-(4-ethyl-1,3-thiazol-5-yl)-3-indazol-1-ylpyridine-2-carboxamide
CID 122157411
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 11351748
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]methanone
CID 11408331
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(6-fluoro-7-methyl-2H-indazol-3-yl)-5-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 11547191

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde (CID 22259253) is 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde is Cc1cc(C)c2n[nH]c(-c3nc(C=O)c(-c4cccnc4)s3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde?
The InChIKey is CVFCFZQJXRIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-10-6-11(2)15-13(7-10)16(22-21-15)18-20-14(9-23)17(24-18)12-4-3-5-19-8-12/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde?
2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde has a molecular weight of 334.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 22259253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).