1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone

C24H29N9O — CID 147430472

About 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone

1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone (PubChem CID 147430472) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone
• PubChem CID: 147430472
• Molecular Formula: C24H29N9O
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.25
• IUPAC Name: 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone
• SMILES: CCn1nccc1CC(=O)[C@]1(C)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
• InChI: InChI=1S/C24H29N9O/c1-3-32-17(9-11-25-32)14-20(34)24(2)10-5-12-31(24)23-27-22(19-6-4-13-33(19)30-23)26-21-15-18(28-29-21)16-7-8-16/h4,6,9,11,13,15-16H,3,5,7-8,10,12,14H2,1-2H3,(H2,26,27,28,29,30)/t24-/m0/s1
• InChIKey: DUFVEPPRHUGHOV-DEOSSOPVSA-N
• XLogP: 3.46
• TPSA: 109.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone?

The IUPAC name of 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone (CID 147430472) is 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone.

What is the SMILES notation for 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone?

The canonical SMILES for 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone is CCn1nccc1CC(=O)[C@]1(C)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.

What is the InChIKey of 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone?

The InChIKey is DUFVEPPRHUGHOV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N9O/c1-3-32-17(9-11-25-32)14-20(34)24(2)10-5-12-31(24)23-27-22(19-6-4-13-33(19)30-23)26-21-15-18(28-29-21)16-7-8-16/h4,6,9,11,13,15-16H,3,5,7-8,10,12,14H2,1-2H3,(H2,26,27,28,29,30)/t24-/m0/s1.

What are the key properties of 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone?

1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone has a molecular weight of 459.56 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 147430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).