[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone

C18H19N9O2 — CID 58532762

IUPAC[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4ncco4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H19N9O2/c1-12-11-14(23-22-12)20-15-13-3-2-5-27(13)24-18(21-15)26-8-6-25(7-9-26)17(28)16-19-4-10-29-16/h2-5,10-11H,6-9H2,1H3,(H2,20,21,22,23,24)
InChIKeyYGKMAYZKKPFCGL-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.45
Rot. Bonds4

About [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone

[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 58532762) has the molecular formula C18H19N9O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID58532762
Molecular FormulaC18H19N9O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4ncco4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C18H19N9O2/c1-12-11-14(23-22-12)20-15-13-3-2-5-27(13)24-18(21-15)26-8-6-25(7-9-26)17(28)16-19-4-10-29-16/h2-5,10-11H,6-9H2,1H3,(H2,20,21,22,23,24)
InChIKeyYGKMAYZKKPFCGL-UHFFFAOYSA-N
XLogP1.45
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,2,5-oxadiazol-3-yl)methanone
CID 58532738
(2-chlorophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53319646
(4-methoxyphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532719
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532763
(2-bromo-6-methylphenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532757
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779
2-[4-[1-(furan-2-yl)ethenyl]piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89083182
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 58532775
N-[3-chloro-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carbonyl]phenyl]acetamide
CID 58532772
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 58532823
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 58532709
methyl-[2-methyl-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70902275

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone (CID 58532762) is [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone is Cc1cc(Nc2nc(N3CCN(C(=O)c4ncco4)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is YGKMAYZKKPFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O2/c1-12-11-14(23-22-12)20-15-13-3-2-5-27(13)24-18(21-15)26-8-6-25(7-9-26)17(28)16-19-4-10-29-16/h2-5,10-11H,6-9H2,1H3,(H2,20,21,22,23,24).
What are the key properties of [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone?
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 393.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 58532762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).