5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31N5O2 — CID 96510087

About 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 96510087) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 96510087
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
• InChI: InChI=1S/C24H31N5O2/c1-6-19(13-18-9-7-15(2)8-10-18)28(5)22(30)12-11-20-16(3)27-24-21(23(25)31)14-26-29(24)17(20)4/h7-10,14,19H,6,11-13H2,1-5H3,(H2,25,31)/t19-/m1/s1
• InChIKey: ZWDUMAPBKXPYDV-LJQANCHMSA-N
• XLogP: 3.17
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 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) is 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.

What is the InChIKey of 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZWDUMAPBKXPYDV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-6-19(13-18-9-7-15(2)8-10-18)28(5)22(30)12-11-20-16(3)27-24-21(23(25)31)14-26-29(24)17(20)4/h7-10,14,19H,6,11-13H2,1-5H3,(H2,25,31)/t19-/m1/s1.

What are the key properties of 5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-6-[3-[methyl-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.17, 8 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-[(2R)-1-(4-methylphenyl)butan-2-yl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 96510087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).