2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18N6O2S — CID 123973918

IUPAC2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18N6O2S/c1-13(25-21(29)18-19(23)26-27-10-5-9-24-20(18)27)16-12-17-15(8-11-31-17)22(30)28(16)14-6-3-2-4-7-14/h2-13H,1H3,(H2,23,26)(H,25,29)
InChIKeyMEICHUUSMKSLEN-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123973918) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123973918
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC Name2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18N6O2S/c1-13(25-21(29)18-19(23)26-27-10-5-9-24-20(18)27)16-12-17-15(8-11-31-17)22(30)28(16)14-6-3-2-4-7-14/h2-13H,1H3,(H2,23,26)(H,25,29)
InChIKeyMEICHUUSMKSLEN-UHFFFAOYSA-N
XLogP3.17
TPSA107.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 123752585
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CID 123995074
2-amino-N-[1-(5-oxo-6-phenyl-3-prop-1-ynylimidazo[1,2-c]pyrimidin-7-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259305
2-amino-N-[1-[8-(4-methylpiperazin-1-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123798062
2-amino-N-[1-[8-(2,3-dihydrothiophen-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123253992
2-amino-N-[(1S)-1-[8-[2-(2-methyl-3-pyridinyl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003499
2-amino-N-[1-[8-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004184
2-amino-N-[(1S)-1-[8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003569
2-amino-N-[(1R)-1-[8-(3,3-dimethylbut-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[1-[8-(2-acetamido-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123758305
2-amino-N-[1-[8-chloro-2-(3-chlorophenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168899800
2-amino-N-[(1S)-1-(7-ethynyl-1-oxo-2-phenylpyrrolo[1,2-c]pyrimidin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121259720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123973918) is 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc2sccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MEICHUUSMKSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-13(25-21(29)18-19(23)26-27-10-5-9-24-20(18)27)16-12-17-15(8-11-31-17)22(30)28(16)14-6-3-2-4-7-14/h2-13H,1H3,(H2,23,26)(H,25,29).
What are the key properties of 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-oxo-5-phenylthieno[3,2-c]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123973918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).