2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H17ClFN7O2 — CID 123513569

IUPAC2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C23H17ClFN7O2/c1-12(28-22(33)18-19(26)30-31-11-3-10-27-21(18)31)20-29-16-5-2-4-15(24)17(16)23(34)32(20)14-8-6-13(25)7-9-14/h2-12H,1H3,(H2,26,30)(H,28,33)
InChIKeySFSWQWJSIGYXCD-UHFFFAOYSA-N
MW477.89 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123513569) has the molecular formula C23H17ClFN7O2 and a molecular weight of 477.89 g/mol. Its IUPAC name is 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123513569
Molecular FormulaC23H17ClFN7O2
Molecular Weight477.89 g/mol
Exact Mass477.11
IUPAC Name2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C23H17ClFN7O2/c1-12(28-22(33)18-19(26)30-31-11-3-10-27-21(18)31)20-29-16-5-2-4-15(24)17(16)23(34)32(20)14-8-6-13(25)7-9-14/h2-12H,1H3,(H2,26,30)(H,28,33)
InChIKeySFSWQWJSIGYXCD-UHFFFAOYSA-N
XLogP3.29
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.89
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118002681
2-amino-N-[(1S)-1-[5-(3-hydroxyprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004351
2-amino-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;morpholine
CID 158817786
2-amino-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-prop-1-enyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003941
2-amino-N-[1-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123347010
2-amino-N-[1-[8-chloro-2-(3,4-difluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123492293
2-amino-N-[1-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-2-yl)ethynyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004429
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-[(1R)-1-[5-(3-amino-3-methylbut-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118033320
2-amino-N-[1-(5-morpholin-4-yl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123697313
2-amino-N-[1-[5-[3-(dimethylamino)prop-1-ynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004426
2-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-3-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004270

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123513569) is 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SFSWQWJSIGYXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN7O2/c1-12(28-22(33)18-19(26)30-31-11-3-10-27-21(18)31)20-29-16-5-2-4-15(24)17(16)23(34)32(20)14-8-6-13(25)7-9-14/h2-12H,1H3,(H2,26,30)(H,28,33).
What are the key properties of 2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.89 g/mol, XLogP of 3.29, 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-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123513569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).