ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate

C14H17N3O2 — CID 136840747

IUPACethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
SMILESCCOC(=O)C1CNc2c3ccccc3nn2C1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)11-8-15-13-10-6-4-5-7-12(10)16-17(13)9(11)2/h4-7,9,11,15H,3,8H2,1-2H3
InChIKeyUNVSOJSIRKZZGI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.20
Rot. Bonds2

About ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate

ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate (PubChem CID 136840747) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
PubChem CID136840747
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
SMILESCCOC(=O)C1CNc2c3ccccc3nn2C1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)11-8-15-13-10-6-4-5-7-12(10)16-17(13)9(11)2/h4-7,9,11,15H,3,8H2,1-2H3
InChIKeyUNVSOJSIRKZZGI-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-amino-4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
CID 136841478
ethyl 7-methyl-2-(methylamino)-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136709588
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136839792
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 134162600
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399
ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
CID 114486851
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
ethyl 2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136840480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The IUPAC name of ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate (CID 136840747) is ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate is CCOC(=O)C1CNc2c3ccccc3nn2C1C.
What is the InChIKey of ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
The InChIKey is UNVSOJSIRKZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-14(18)11-8-15-13-10-6-4-5-7-12(10)16-17(13)9(11)2/h4-7,9,11,15H,3,8H2,1-2H3.
What are the key properties of ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate?
ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate is sourced from PubChem (CID 136840747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).