6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23N5O3 — CID 51725008

About 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 51725008) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 51725008
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1
• InChI: InChI=1S/C22H23N5O3/c1-12-16(14(3)27-22(26-12)17(11-24-27)21(23)29)8-9-20(28)25-13(2)19-10-15-6-4-5-7-18(15)30-19/h4-7,10-11,13H,8-9H2,1-3H3,(H2,23,29)(H,25,28)/t13-/m1/s1
• InChIKey: XGAZSUAKAYVLNF-CYBMUJFWSA-N
• XLogP: 3.00
• TPSA: 115.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 51725008) is 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1.

What is the InChIKey of 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XGAZSUAKAYVLNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12-16(14(3)27-22(26-12)17(11-24-27)21(23)29)8-9-20(28)25-13(2)19-10-15-6-4-5-7-18(15)30-19/h4-7,10-11,13H,8-9H2,1-3H3,(H2,23,29)(H,25,28)/t13-/m1/s1.

What are the key properties of 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51725008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).