4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide

C16H17N5O2S — CID 168914380

IUPAC4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCOc1nc(SC)ncc1C(=O)Nc1ccc2nn(C)cc2c1
InChIInChI=1S/C16H17N5O2S/c1-4-23-15-12(8-17-16(19-15)24-3)14(22)18-11-5-6-13-10(7-11)9-21(2)20-13/h5-9H,4H2,1-3H3,(H,18,22)
InChIKeyDNKVZOISPGGJSF-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.74
Rot. Bonds5

About 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide

4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 168914380) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID168914380
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCCOc1nc(SC)ncc1C(=O)Nc1ccc2nn(C)cc2c1
InChIInChI=1S/C16H17N5O2S/c1-4-23-15-12(8-17-16(19-15)24-3)14(22)18-11-5-6-13-10(7-11)9-21(2)20-13/h5-9H,4H2,1-3H3,(H,18,22)
InChIKeyDNKVZOISPGGJSF-UHFFFAOYSA-N
XLogP2.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
CID 172551782
N-(4-acetamidophenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 46276390
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
N-(1,3-benzodioxol-5-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913568
4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
CID 172551798
[5-methyl-3-[(2-methylindazol-5-yl)carbamoyl]-4-oxo-6,7-dihydro-1-benzofuran-5-yl]methyl acetate
CID 118252920
N-(4-bromo-3-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913741
N-(3-fluorophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913719
2-amino-4-(1-cyanoborinan-4-yl)-N-(2-methylindazol-5-yl)benzamide
CID 156889081
tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724
N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913835
methyl 4-[(4-chloro-2-methylsulfanylpyrimidine-5-carbonyl)amino]benzoate
CID 18858809

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 168914380) is 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide is CCOc1nc(SC)ncc1C(=O)Nc1ccc2nn(C)cc2c1.
What is the InChIKey of 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is DNKVZOISPGGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-4-23-15-12(8-17-16(19-15)24-3)14(22)18-11-5-6-13-10(7-11)9-21(2)20-13/h5-9H,4H2,1-3H3,(H,18,22).
What are the key properties of 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 168914380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).