3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide

C27H32N6O2 — CID 55896270

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C27H32N6O2/c1-16-10-17(2)15-32(14-16)27(35)21-7-6-18(3)24(11-21)31-25(34)9-8-23-19(4)30-26-22(12-28)13-29-33(26)20(23)5/h6-7,11,13,16-17H,8-10,14-15H2,1-5H3,(H,31,34)
InChIKeyKNILJMBIHDWTLP-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.22
Rot. Bonds5

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide (PubChem CID 55896270) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
PubChem CID55896270
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C27H32N6O2/c1-16-10-17(2)15-32(14-16)27(35)21-7-6-18(3)24(11-21)31-25(34)9-8-23-19(4)30-26-22(12-28)13-29-33(26)20(23)5/h6-7,11,13,16-17H,8-10,14-15H2,1-5H3,(H,31,34)
InChIKeyKNILJMBIHDWTLP-UHFFFAOYSA-N
XLogP4.22
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide (CID 55896270) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The InChIKey is KNILJMBIHDWTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-16-10-17(2)15-32(14-16)27(35)21-7-6-18(3)24(11-21)31-25(34)9-8-23-19(4)30-26-22(12-28)13-29-33(26)20(23)5/h6-7,11,13,16-17H,8-10,14-15H2,1-5H3,(H,31,34).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide has a molecular weight of 472.59 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 55896270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).