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

C16H23N5O2 — CID 87024312

IUPAC5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C16H23N5O2/c1-9(2)20(5)14(22)7-6-12-10(3)19-16-13(15(17)23)8-18-21(16)11(12)4/h8-9H,6-7H2,1-5H3,(H2,17,23)
InChIKeyKBWURUNINLETSG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.24
Rot. Bonds5

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

5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87024312) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID87024312
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C16H23N5O2/c1-9(2)20(5)14(22)7-6-12-10(3)19-16-13(15(17)23)8-18-21(16)11(12)4/h8-9H,6-7H2,1-5H3,(H2,17,23)
InChIKeyKBWURUNINLETSG-UHFFFAOYSA-N
XLogP1.24
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87024312) is 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C(C)C.
What is the InChIKey of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KBWURUNINLETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)20(5)14(22)7-6-12-10(3)19-16-13(15(17)23)8-18-21(16)11(12)4/h8-9H,6-7H2,1-5H3,(H2,17,23).
What are the key properties of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.24, 5 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(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87024312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).