2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide

C19H26N8O2 — CID 69063992

IUPAC2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](CO)NC(=O)CNc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H26N8O2/c1-11(2)14(10-28)21-17(29)9-20-19-23-18(15-4-3-7-27(15)26-19)22-16-8-13(24-25-16)12-5-6-12/h3-4,7-8,11-12,14,28H,5-6,9-10H2,1-2H3,(H,21,29)(H3,20,22,23,24,25,26)/t14-/m0/s1
InChIKeyJPMAOWRJUJREQW-AWEZNQCLSA-N
MW398.47 g/mol
LogP1.62
Rot. Bonds9

About 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide

2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 69063992) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID69063992
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](CO)NC(=O)CNc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C19H26N8O2/c1-11(2)14(10-28)21-17(29)9-20-19-23-18(15-4-3-7-27(15)26-19)22-16-8-13(24-25-16)12-5-6-12/h3-4,7-8,11-12,14,28H,5-6,9-10H2,1-2H3,(H,21,29)(H3,20,22,23,24,25,26)/t14-/m0/s1
InChIKeyJPMAOWRJUJREQW-AWEZNQCLSA-N
XLogP1.62
TPSA132.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 69063992) is 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(C)[C@H](CO)NC(=O)CNc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.
What is the InChIKey of 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is JPMAOWRJUJREQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-11(2)14(10-28)21-17(29)9-20-19-23-18(15-4-3-7-27(15)26-19)22-16-8-13(24-25-16)12-5-6-12/h3-4,7-8,11-12,14,28H,5-6,9-10H2,1-2H3,(H,21,29)(H3,20,22,23,24,25,26)/t14-/m0/s1.
What are the key properties of 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide?
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 1.62, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 69063992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).