1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

C19H18N10O2 — CID 129117179

About 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 129117179) has the molecular formula C19H18N10O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
• PubChem CID: 129117179
• Molecular Formula: C19H18N10O2
• Molecular Weight: 418.42 g/mol
• Exact Mass: 418.16
• IUPAC Name: 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
• SMILES: CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C#N)c2)cnc2cc(C)nn12
• InChI: InChI=1S/C19H18N10O2/c1-11-6-16-21-10-15(17(12(2)31-3)28(16)27-11)26-19(30)25-14-7-13(8-20)18(22-9-14)29-23-4-5-24-29/h4-7,9-10,12H,1-3H3,(H2,25,26,30)/t12-/m0/s1
• InChIKey: XHHQWGRMVQIMHT-LBPRGKRZSA-N
• XLogP: 2.24
• TPSA: 147.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.42
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?

The IUPAC name of 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 129117179) is 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.

What is the SMILES notation for 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?

The canonical SMILES for 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C#N)c2)cnc2cc(C)nn12.

What is the InChIKey of 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?

The InChIKey is XHHQWGRMVQIMHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N10O2/c1-11-6-16-21-10-15(17(12(2)31-3)28(16)27-11)26-19(30)25-14-7-13(8-20)18(22-9-14)29-23-4-5-24-29/h4-7,9-10,12H,1-3H3,(H2,25,26,30)/t12-/m0/s1.

What are the key properties of 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?

1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 418.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 129117179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).