N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide

C19H24N8O — CID 68842046

IUPACN-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)CC1
InChIInChI=1S/C19H24N8O/c1-12(28)20-14-6-9-26(10-7-14)18-22-17-3-2-8-27(17)19(23-18)21-16-11-15(24-25-16)13-4-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,20,28)(H2,21,22,23,24,25)
InChIKeyGVZCGRDQIRVUDY-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.18
Rot. Bonds5

About N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide

N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide (PubChem CID 68842046) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
PubChem CID68842046
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC NameN-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)CC1
InChIInChI=1S/C19H24N8O/c1-12(28)20-14-6-9-26(10-7-14)18-22-17-3-2-8-27(17)19(23-18)21-16-11-15(24-25-16)13-4-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,20,28)(H2,21,22,23,24,25)
InChIKeyGVZCGRDQIRVUDY-UHFFFAOYSA-N
XLogP2.18
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide (CID 68842046) is N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)n3cccc3n2)CC1.
What is the InChIKey of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is GVZCGRDQIRVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-12(28)20-14-6-9-26(10-7-14)18-22-17-3-2-8-27(17)19(23-18)21-16-11-15(24-25-16)13-4-5-13/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,20,28)(H2,21,22,23,24,25).
What are the key properties of N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide?
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 380.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 68842046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).