5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide

C21H26N6O2 — CID 91089656

IUPAC5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide
SMILESC=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N(C)C)cc1C(=O)NC
InChIInChI=1S/C21H26N6O2/c1-11(2)17-12(3)21(29)27-19(24-17)18(13(4)25-27)23-16-9-8-14(26(6)7)10-15(16)20(28)22-5/h8-11,25H,4H2,1-3,5-7H3,(H,22,28)/b23-18+
InChIKeyFWRYOKSGBHPSFO-PTGBLXJZSA-N
MW394.48 g/mol
LogP1.24
Rot. Bonds4

About 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide

5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide (PubChem CID 91089656) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide
PubChem CID91089656
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide
SMILESC=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N(C)C)cc1C(=O)NC
InChIInChI=1S/C21H26N6O2/c1-11(2)17-12(3)21(29)27-19(24-17)18(13(4)25-27)23-16-9-8-14(26(6)7)10-15(16)20(28)22-5/h8-11,25H,4H2,1-3,5-7H3,(H,22,28)/b23-18+
InChIKeyFWRYOKSGBHPSFO-PTGBLXJZSA-N
XLogP1.24
TPSA94.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide?
The IUPAC name of 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide (CID 91089656) is 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide.
What is the SMILES notation for 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide?
The canonical SMILES for 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide is C=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N(C)C)cc1C(=O)NC.
What is the InChIKey of 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide?
The InChIKey is FWRYOKSGBHPSFO-PTGBLXJZSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-11(2)17-12(3)21(29)27-19(24-17)18(13(4)25-27)23-16-9-8-14(26(6)7)10-15(16)20(28)22-5/h8-11,25H,4H2,1-3,5-7H3,(H,22,28)/b23-18+.
What are the key properties of 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide?
5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-methyl-2-[(6-methyl-2-methylidene-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-3-ylidene)amino]benzamide is sourced from PubChem (CID 91089656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).