ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate

C22H19N5O5S — CID 121464913

IUPACethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1
InChIInChI=1S/C22H19N5O5S/c1-3-32-22(30)26-20(29)16-8-9-33-21(16)25-19(28)14-10-23-18-17(11-24-27(18)12-14)13-4-6-15(31-2)7-5-13/h4-12H,3H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeySRKZBCIPCRMTAF-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.61
Rot. Bonds6

About ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 121464913) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
PubChem CID121464913
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Nameethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1
InChIInChI=1S/C22H19N5O5S/c1-3-32-22(30)26-20(29)16-8-9-33-21(16)25-19(28)14-10-23-18-17(11-24-27(18)12-14)13-4-6-15(31-2)7-5-13/h4-12H,3H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeySRKZBCIPCRMTAF-UHFFFAOYSA-N
XLogP3.61
TPSA123.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate (CID 121464913) is ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1.
What is the InChIKey of ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The InChIKey is SRKZBCIPCRMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-3-32-22(30)26-20(29)16-8-9-33-21(16)25-19(28)14-10-23-18-17(11-24-27(18)12-14)13-4-6-15(31-2)7-5-13/h4-12H,3H2,1-2H3,(H,25,28)(H,26,29,30).
What are the key properties of ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 465.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).