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

C26H23N7O2 — CID 118003941

IUPAC2-amino-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-prop-1-enyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/C=C/c1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C26H23N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h3-16H,1-2H3,(H2,27,31)(H,29,34)/b9-3+/t16-/m1/s1
InChIKeyLMSOVSJHBZAEGD-UOWSJYKBSA-N
MW465.52 g/mol
LogP3.53
Rot. Bonds5

About 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

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 (PubChem CID 118003941) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-prop-1-enyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118003941
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name2-amino-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-prop-1-enyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/C=C/c1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C26H23N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h3-16H,1-2H3,(H2,27,31)(H,29,34)/b9-3+/t16-/m1/s1
InChIKeyLMSOVSJHBZAEGD-UOWSJYKBSA-N
XLogP3.53
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[1-[5-(2-cyclohexylethenyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123235401
2-amino-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-5-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003938
2-amino-N-[(1R)-1-[5-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003946
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-[(1S)-1-[5-(3-hydroxyprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004351
2-methyl-N-[1-[5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032225
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-[4-oxo-3-phenyl-5-[2-(1,3-thiazol-4-yl)ethynyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004559
2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032481
2-methyl-N-[(1R)-1-[4-oxo-3-phenyl-5-[(E)-2-pyridin-3-ylethenyl]quinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032493

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/c1cccc2nc([C@@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 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?
The InChIKey is LMSOVSJHBZAEGD-UOWSJYKBSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h3-16H,1-2H3,(H2,27,31)(H,29,34)/b9-3+/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 465.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118003941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).