2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one

C25H19F2N7O2 — CID 144825003

IUPAC2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
SMILESC#Cc1cccc2nc(CC)n(-c3ccc(F)c(F)c3)c(=O)c12.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C18H12F2N2O.C7H7N5O/c1-3-11-6-5-7-15-17(11)18(23)22(16(4-2)21-15)12-8-9-13(19)14(20)10-12;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1,5-10H,4H2,2H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyCTXJJCSQIWWHLX-UHFFFAOYSA-N
MW487.47 g/mol
LogP2.62
Rot. Bonds3

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one (PubChem CID 144825003) has the molecular formula C25H19F2N7O2 and a molecular weight of 487.47 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
PubChem CID144825003
Molecular FormulaC25H19F2N7O2
Molecular Weight487.47 g/mol
Exact Mass487.16
IUPAC Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
SMILESC#Cc1cccc2nc(CC)n(-c3ccc(F)c(F)c3)c(=O)c12.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C18H12F2N2O.C7H7N5O/c1-3-11-6-5-7-15-17(11)18(23)22(16(4-2)21-15)12-8-9-13(19)14(20)10-12;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1,5-10H,4H2,2H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyCTXJJCSQIWWHLX-UHFFFAOYSA-N
XLogP2.62
TPSA134.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
CID 144926925
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
CID 144926736
3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one
CID 144824495
2-amino-N-[(1R)-1-[3-(3,4-difluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003984
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-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144824587
7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415730
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-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824687
N-[1-(5-ethynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032021

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one (CID 144825003) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one is C#Cc1cccc2nc(CC)n(-c3ccc(F)c(F)c3)c(=O)c12.NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one?
The InChIKey is CTXJJCSQIWWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O.C7H7N5O/c1-3-11-6-5-7-15-17(11)18(23)22(16(4-2)21-15)12-8-9-13(19)14(20)10-12;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h1,5-10H,4H2,2H3;1-3H,(H2,8,11)(H2,9,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one?
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one has a molecular weight of 487.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one is sourced from PubChem (CID 144825003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).