[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

C17H18N10O2 — CID 58532738

IUPAC[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
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4cnon4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H18N10O2/c1-11-9-14(22-21-11)19-15-13-3-2-4-27(13)23-17(20-15)26-7-5-25(6-8-26)16(28)12-10-18-29-24-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,21,22,23)
InChIKeyXJCJUDRCVHVWMC-UHFFFAOYSA-N
MW394.40 g/mol
LogP0.85
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]-(1,2,5-oxadiazol-3-yl)methanone

[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,2,5-oxadiazol-3-yl)methanone (PubChem CID 58532738) has the molecular formula C17H18N10O2 and a molecular weight of 394.40 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]-(1,2,5-oxadiazol-3-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]-(1,2,5-oxadiazol-3-yl)methanone
PubChem CID58532738
Molecular FormulaC17H18N10O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,2,5-oxadiazol-3-yl)methanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)c4cnon4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H18N10O2/c1-11-9-14(22-21-11)19-15-13-3-2-4-27(13)23-17(20-15)26-7-5-25(6-8-26)16(28)12-10-18-29-24-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,21,22,23)
InChIKeyXJCJUDRCVHVWMC-UHFFFAOYSA-N
XLogP0.85
TPSA133.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Related Compounds

[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 58532762
(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
(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
(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
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
2-(2,6-difluoro-4-methylphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 70902246

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]-(1,2,5-oxadiazol-3-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]-(1,2,5-oxadiazol-3-yl)methanone (CID 58532738) is [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.
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]-(1,2,5-oxadiazol-3-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]-(1,2,5-oxadiazol-3-yl)methanone is Cc1cc(Nc2nc(N3CCN(C(=O)c4cnon4)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]-(1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is XJCJUDRCVHVWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N10O2/c1-11-9-14(22-21-11)19-15-13-3-2-4-27(13)23-17(20-15)26-7-5-25(6-8-26)16(28)12-10-18-29-24-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,21,22,23).
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]-(1,2,5-oxadiazol-3-yl)methanone?
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 394.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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]-(1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 58532738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).