5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28N6O3 — CID 166434882

IUPAC5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C23H28N6O3/c1-13(2)11-21(31)28-17-7-5-16(6-8-17)27-20(30)10-9-18-14(3)26-23-19(22(24)32)12-25-29(23)15(18)4/h5-8,12-13H,9-11H2,1-4H3,(H2,24,32)(H,27,30)(H,28,31)
InChIKeyQPIMMMNRLMTOOJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.00
Rot. Bonds8

About 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166434882) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166434882
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C23H28N6O3/c1-13(2)11-21(31)28-17-7-5-16(6-8-17)27-20(30)10-9-18-14(3)26-23-19(22(24)32)12-25-29(23)15(18)4/h5-8,12-13H,9-11H2,1-4H3,(H2,24,32)(H,27,30)(H,28,31)
InChIKeyQPIMMMNRLMTOOJ-UHFFFAOYSA-N
XLogP3.00
TPSA131.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-methoxy-3-methylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87032399
[2-(4-methylanilino)-2-oxoethyl] 3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 55882197
6-[3-(3-cyanoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736430
6-[3-(2,6-difluoroanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52621976
6-[3-(2-iodoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737352
N-[4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]phenyl]-3-methylbutanamide
CID 46541559
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922
5,7-dimethyl-6-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56797134
6-[3-(2,4-dibromoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736270
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55871172
6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852268

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166434882) is 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QPIMMMNRLMTOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-13(2)11-21(31)28-17-7-5-16(6-8-17)27-20(30)10-9-18-14(3)26-23-19(22(24)32)12-25-29(23)15(18)4/h5-8,12-13H,9-11H2,1-4H3,(H2,24,32)(H,27,30)(H,28,31).
What are the key properties of 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).