5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O2 — CID 55825251

IUPAC5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H25N5O2/c1-13-7-5-6-8-16(13)12-25(4)19(27)10-9-17-14(2)24-21-18(20(22)28)11-23-26(21)15(17)3/h5-8,11H,9-10,12H2,1-4H3,(H2,22,28)
InChIKeyCYUCYXMYURGYAZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.34
Rot. Bonds6

About 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55825251) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55825251
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H25N5O2/c1-13-7-5-6-8-16(13)12-25(4)19(27)10-9-17-14(2)24-21-18(20(22)28)11-23-26(21)15(17)3/h5-8,11H,9-10,12H2,1-4H3,(H2,22,28)
InChIKeyCYUCYXMYURGYAZ-UHFFFAOYSA-N
XLogP2.34
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55833531
6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736989
5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87024312
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 38035306
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-(2-iodoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737352
5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96510087
6-[3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736313
6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852268
6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 48504059
6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55870490
6-[3-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55894919

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55825251) is 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1CN(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.
What is the InChIKey of 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CYUCYXMYURGYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-7-5-6-8-16(13)12-25(4)19(27)10-9-17-14(2)24-21-18(20(22)28)11-23-26(21)15(17)3/h5-8,11H,9-10,12H2,1-4H3,(H2,22,28).
What are the key properties of 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55825251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).