4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

C24H28N6O2 — CID 56511149

IUPAC4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C24H28N6O2/c1-6-29(15-18-7-9-19(10-8-18)24(32)28(4)5)22(31)12-11-21-16(2)27-23-20(13-25)14-26-30(23)17(21)3/h7-10,14H,6,11-12,15H2,1-5H3
InChIKeyBPFBQSGZGMGGRM-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.90
Rot. Bonds7

About 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511149) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID56511149
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C24H28N6O2/c1-6-29(15-18-7-9-19(10-8-18)24(32)28(4)5)22(31)12-11-21-16(2)27-23-20(13-25)14-26-30(23)17(21)3/h7-10,14H,6,11-12,15H2,1-5H3
InChIKeyBPFBQSGZGMGGRM-UHFFFAOYSA-N
XLogP2.90
TPSA94.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (CID 56511149) is 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is BPFBQSGZGMGGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-6-29(15-18-7-9-19(10-8-18)24(32)28(4)5)22(31)12-11-21-16(2)27-23-20(13-25)14-26-30(23)17(21)3/h7-10,14H,6,11-12,15H2,1-5H3.
What are the key properties of 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 432.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).