4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C23H25N7O — CID 11676022

IUPAC4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1
InChIInChI=1S/C23H25N7O/c1-28(2)12-13-29(3)23(31)17-9-7-16(8-10-17)18-14-26-22-20(19-6-4-5-11-25-19)21(24)27-30(22)15-18/h4-11,14-15H,12-13H2,1-3H3,(H2,24,27)
InChIKeyYMZUKHXSMNDDBJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.67
Rot. Bonds6

About 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 11676022) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID11676022
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1
InChIInChI=1S/C23H25N7O/c1-28(2)12-13-29(3)23(31)17-9-7-16(8-10-17)18-14-26-22-20(19-6-4-5-11-25-19)21(24)27-30(22)15-18/h4-11,14-15H,12-13H2,1-3H3,(H2,24,27)
InChIKeyYMZUKHXSMNDDBJ-UHFFFAOYSA-N
XLogP2.67
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N,N-dimethylbenzamide;6-bromo-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(2-chlorophenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-phenyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 160918088
6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 11638527
[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 11675716
3-pyridin-2-yl-6-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 11508347
N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide
CID 122565761
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
3-(6-amino-5-chloro-3-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 122568727
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
CID 106771901
N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
CID 134179299
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
4-(6-amino-4-phenyl-9H-pyrido[2,3-b]indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 58791026

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 11676022) is 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(-c2cnc3c(-c4ccccn4)c(N)nn3c2)cc1.
What is the InChIKey of 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is YMZUKHXSMNDDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28(2)12-13-29(3)23(31)17-9-7-16(8-10-17)18-14-26-22-20(19-6-4-5-11-25-19)21(24)27-30(22)15-18/h4-11,14-15H,12-13H2,1-3H3,(H2,24,27).
What are the key properties of 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 11676022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).