1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione

C19H21N9O2 — CID 170695315

About 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione

1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 170695315) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione
• PubChem CID: 170695315
• Molecular Formula: C19H21N9O2
• Molecular Weight: 407.44 g/mol
• Exact Mass: 407.18
• IUPAC Name: 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione
• SMILES: C[C@@H](Nc1cnnc(N)n1)c1cc2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)n2n1
• InChI: InChI=1S/C19H21N9O2/c1-10(22-15-8-21-24-18(20)23-15)14-7-13-5-12(11-3-4-11)6-16(28(13)25-14)27-9-17(29)26(2)19(27)30/h5-8,10-11H,3-4,9H2,1-2H3,(H3,20,22,23,24)/t10-/m1/s1
• InChIKey: LEFHWJAVPMBCJH-SNVBAGLBSA-N
• XLogP: 1.55
• TPSA: 134.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.44
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione?

The IUPAC name of 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione (CID 170695315) is 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione?

The canonical SMILES for 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione is C[C@@H](Nc1cnnc(N)n1)c1cc2cc(C3CC3)cc(N3CC(=O)N(C)C3=O)n2n1.

What is the InChIKey of 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione?

The InChIKey is LEFHWJAVPMBCJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-10(22-15-8-21-24-18(20)23-15)14-7-13-5-12(11-3-4-11)6-16(28(13)25-14)27-9-17(29)26(2)19(27)30/h5-8,10-11H,3-4,9H2,1-2H3,(H3,20,22,23,24)/t10-/m1/s1.

What are the key properties of 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione?

1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 407.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R)-1-[(3-amino-1,2,4-triazin-5-yl)amino]ethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 170695315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).