N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide

C23H21N7O2 — CID 122551894

IUPACN-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
SMILESCNC(=O)CNc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccccc12
InChIInChI=1S/C23H21N7O2/c1-14-11-21-29(23(32)16-8-4-6-10-18(16)30(21)28-14)13-19-26-17-9-5-3-7-15(17)22(27-19)25-12-20(31)24-2/h3-11H,12-13H2,1-2H3,(H,24,31)(H,25,26,27)
InChIKeyPAHAWAYIFODWMH-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide

N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide (PubChem CID 122551894) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
PubChem CID122551894
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide
SMILESCNC(=O)CNc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccccc12
InChIInChI=1S/C23H21N7O2/c1-14-11-21-29(23(32)16-8-4-6-10-18(16)30(21)28-14)13-19-26-17-9-5-3-7-15(17)22(27-19)25-12-20(31)24-2/h3-11H,12-13H2,1-2H3,(H,24,31)(H,25,26,27)
InChIKeyPAHAWAYIFODWMH-UHFFFAOYSA-N
XLogP2.11
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide (CID 122551894) is N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide is CNC(=O)CNc1nc(Cn2c(=O)c3ccccc3n3nc(C)cc23)nc2ccccc12.
What is the InChIKey of N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide?
The InChIKey is PAHAWAYIFODWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-11-21-29(23(32)16-8-4-6-10-18(16)30(21)28-14)13-19-26-17-9-5-3-7-15(17)22(27-19)25-12-20(31)24-2/h3-11H,12-13H2,1-2H3,(H,24,31)(H,25,26,27).
What are the key properties of N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide?
N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide has a molecular weight of 427.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(2-methyl-5-oxopyrazolo[1,5-a]quinazolin-4-yl)methyl]quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 122551894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).