methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate

C20H18N4O2S — CID 127038453

IUPACmethyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-14-17(12)23-24-18(14)16-11-22-19(27-16)13-8-9-15(21-10-13)20(25)26-2/h4,6-11H,3,5H2,1-2H3,(H,23,24)
InChIKeyCZKLZQKFRIPFLY-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.49
Rot. Bonds5

About methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate

methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate (PubChem CID 127038453) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
PubChem CID127038453
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Namemethyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc12
InChIInChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-14-17(12)23-24-18(14)16-11-22-19(27-16)13-8-9-15(21-10-13)20(25)26-2/h4,6-11H,3,5H2,1-2H3,(H,23,24)
InChIKeyCZKLZQKFRIPFLY-UHFFFAOYSA-N
XLogP4.49
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889131
ethyl 5-[4-(methoxymethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 46889133
ethyl 5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889157
Ethyl 5-[4-cyclopropyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889158
Ethyl 5-[4-phenyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylate
CID 46889159
[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl dihydrogen phosphate
CID 127037998
2-[5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetic acid
CID 127038119
4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038120
3-methoxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038121
5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038452
2-fluoro-4-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]benzoic acid
CID 127038463
3-hydroxy-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127038464

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate (CID 127038453) is methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate is CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc12.
What is the InChIKey of methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The InChIKey is CZKLZQKFRIPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-5-12-6-4-7-14-17(12)23-24-18(14)16-11-22-19(27-16)13-8-9-15(21-10-13)20(25)26-2/h4,6-11H,3,5H2,1-2H3,(H,23,24).
What are the key properties of methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate has a molecular weight of 378.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 127038453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).