5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile

C24H23N11O — CID 77261371

About 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile

5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile (PubChem CID 77261371) has the molecular formula C24H23N11O and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 77261371
• Molecular Formula: C24H23N11O
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.21
• IUPAC Name: 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile
• SMILES: N#Cc1ncc(-c2cnn3c(N)c(C4CC4)c(C4CC5CCC(C4)N5C(=O)c4ncn[nH]4)nc23)cn1
• InChI: InChI=1S/C24H23N11O/c25-7-18-27-8-14(9-28-18)17-10-31-35-21(26)19(12-1-2-12)20(32-23(17)35)13-5-15-3-4-16(6-13)34(15)24(36)22-29-11-30-33-22/h8-13,15-16H,1-6,26H2,(H,29,30,33)
• InChIKey: BPYJTLZDHSROKH-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 167.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile (CID 77261371) is 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile is N#Cc1ncc(-c2cnn3c(N)c(C4CC4)c(C4CC5CCC(C4)N5C(=O)c4ncn[nH]4)nc23)cn1.

What is the InChIKey of 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is BPYJTLZDHSROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N11O/c25-7-18-27-8-14(9-28-18)17-10-31-35-21(26)19(12-1-2-12)20(32-23(17)35)13-5-15-3-4-16(6-13)34(15)24(36)22-29-11-30-33-22/h8-13,15-16H,1-6,26H2,(H,29,30,33).

What are the key properties of 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile?

5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 481.52 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-amino-6-cyclopropyl-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 77261371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).