N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide

C25H31N9O3 — CID 71134988

About N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide

N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide (PubChem CID 71134988) has the molecular formula C25H31N9O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide
• PubChem CID: 71134988
• Molecular Formula: C25H31N9O3
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.25
• IUPAC Name: N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide
• SMILES: CCCN(C(=O)CO)[C@H](CC)CCc1nc2c(-c3ccc(-c4ncn[nH]4)nc3)cnn2c(N)c1C(C)=O
• InChI: InChI=1S/C25H31N9O3/c1-4-10-33(21(37)13-35)17(5-2)7-9-19-22(15(3)36)23(26)34-25(31-19)18(12-30-34)16-6-8-20(27-11-16)24-28-14-29-32-24/h6,8,11-12,14,17,35H,4-5,7,9-10,13,26H2,1-3H3,(H,28,29,32)/t17-/m1/s1
• InChIKey: DGWFROYUJGOQPU-QGZVFWFLSA-N
• XLogP: 2.30
• TPSA: 168.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide?

The IUPAC name of N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide (CID 71134988) is N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide.

What is the SMILES notation for N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide?

The canonical SMILES for N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide is CCCN(C(=O)CO)[C@H](CC)CCc1nc2c(-c3ccc(-c4ncn[nH]4)nc3)cnn2c(N)c1C(C)=O.

What is the InChIKey of N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide?

The InChIKey is DGWFROYUJGOQPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H31N9O3/c1-4-10-33(21(37)13-35)17(5-2)7-9-19-22(15(3)36)23(26)34-25(31-19)18(12-30-34)16-6-8-20(27-11-16)24-28-14-29-32-24/h6,8,11-12,14,17,35H,4-5,7,9-10,13,26H2,1-3H3,(H,28,29,32)/t17-/m1/s1.

What are the key properties of N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide?

N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide has a molecular weight of 505.58 g/mol, XLogP of 2.30, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[6-acetyl-7-amino-3-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-2-hydroxy-N-propylacetamide is sourced from PubChem (CID 71134988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).