ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate

C18H17N5O3 — CID 70155485

IUPACethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCc2cc(=O)n3c(n2)N=CC3)c1
InChIInChI=1S/C18H17N5O3/c1-2-26-17(25)12-3-4-15-13(9-12)11-20-23(15)7-5-14-10-16(24)22-8-6-19-18(22)21-14/h3-4,6,9-11H,2,5,7-8H2,1H3
InChIKeyYUMHRAVRQGCBQN-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.73
Rot. Bonds5

About ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate

ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate (PubChem CID 70155485) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
PubChem CID70155485
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Nameethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCc2cc(=O)n3c(n2)N=CC3)c1
InChIInChI=1S/C18H17N5O3/c1-2-26-17(25)12-3-4-15-13(9-12)11-20-23(15)7-5-14-10-16(24)22-8-6-19-18(22)21-14/h3-4,6,9-11H,2,5,7-8H2,1H3
InChIKeyYUMHRAVRQGCBQN-UHFFFAOYSA-N
XLogP1.73
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-(4-aminobutyl)indazole-5-carboxylate
CID 10659083
2-(5-ethoxycarbonylindazol-1-yl)acetic acid
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ethyl 1-tritylindazole-5-carboxylate
CID 141079156
1-[3-(dimethylamino)propyl]indazole-5-carboxamide
CID 22933619
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
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ethyl 1-(2-phenylethyl)benzotriazole-5-carboxylate
CID 4913004
ethyl 1-(2-aminoethyl)benzotriazole-5-carboxylate
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ethyl 5-(1-ethylindazol-5-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
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ethyl 1-formylindole-5-carboxylate
CID 139975474

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate (CID 70155485) is ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate is CCOC(=O)c1ccc2c(cnn2CCc2cc(=O)n3c(n2)N=CC3)c1.
What is the InChIKey of ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate?
The InChIKey is YUMHRAVRQGCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-2-26-17(25)12-3-4-15-13(9-12)11-20-23(15)7-5-14-10-16(24)22-8-6-19-18(22)21-14/h3-4,6,9-11H,2,5,7-8H2,1H3.
What are the key properties of ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate?
ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate has a molecular weight of 351.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate is sourced from PubChem (CID 70155485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).