7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

C24H22N8O2 — CID 138624341

IUPAC7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4ccnnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H22N8O2/c1-3-15-8-7-11-17-18(15)24(34)32(16-9-5-4-6-10-16)21(28-17)14(2)27-23(33)19-20(25)30-31-13-12-26-29-22(19)31/h4-14H,3H2,1-2H3,(H2,25,30)(H,27,33)/t14-/m0/s1
InChIKeyWQAISGDQXVYUOU-AWEZNQCLSA-N
MW454.49 g/mol
LogP2.46
Rot. Bonds5

About 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide

7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (PubChem CID 138624341) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
PubChem CID138624341
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide
SMILESCCc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4ccnnc34)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H22N8O2/c1-3-15-8-7-11-17-18(15)24(34)32(16-9-5-4-6-10-16)21(28-17)14(2)27-23(33)19-20(25)30-31-13-12-26-29-22(19)31/h4-14H,3H2,1-2H3,(H2,25,30)(H,27,33)/t14-/m0/s1
InChIKeyWQAISGDQXVYUOU-AWEZNQCLSA-N
XLogP2.46
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
6-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-f][1,2,4]triazine-5-carboxamide
CID 138624180
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-[(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-[(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-[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-(3,3-diethoxyprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004267
2-amino-N-[1-[5-[2-(2-methylpyrazol-3-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003890
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-(2-cyclohexylethenyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123235401
2-amino-N-[(1S)-1-[5-(1-methylpyrazol-4-yl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118033236
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 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The IUPAC name of 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide (CID 138624341) is 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide.
What is the SMILES notation for 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The canonical SMILES for 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is CCc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4ccnnc34)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
The InChIKey is WQAISGDQXVYUOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-3-15-8-7-11-17-18(15)24(34)32(16-9-5-4-6-10-16)21(28-17)14(2)27-23(33)19-20(25)30-31-13-12-26-29-22(19)31/h4-14H,3H2,1-2H3,(H2,25,30)(H,27,33)/t14-/m0/s1.
What are the key properties of 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide?
7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1S)-1-(5-ethyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]pyrazolo[5,1-c][1,2,4]triazine-8-carboxamide is sourced from PubChem (CID 138624341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).