4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C25H27N7O3 — CID 130363548

IUPAC4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)NC1c1cccc(-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1
InChIInChI=1S/C25H27N7O3/c1-25(2)22(30-24(33)35-25)16-5-3-4-15(12-16)20-13-18(21-23(26)27-14-29-32(20)21)19-6-9-28-31(19)17-7-10-34-11-8-17/h3-6,9,12-14,17,22H,7-8,10-11H2,1-2H3,(H,30,33)(H2,26,27,29)
InChIKeyYBAFOFJUJIJSBY-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.75
Rot. Bonds4

About 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 130363548) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID130363548
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)NC1c1cccc(-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1
InChIInChI=1S/C25H27N7O3/c1-25(2)22(30-24(33)35-25)16-5-3-4-15(12-16)20-13-18(21-23(26)27-14-29-32(20)21)19-6-9-28-31(19)17-7-10-34-11-8-17/h3-6,9,12-14,17,22H,7-8,10-11H2,1-2H3,(H,30,33)(H2,26,27,29)
InChIKeyYBAFOFJUJIJSBY-UHFFFAOYSA-N
XLogP3.75
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
N9WN9W54QJ
CID 122179477
US10214537, Example 90
CID 130363112
1-[(2S,4R)-2-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 130363168
1-[(2S,6R)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 130363443
US10214537, Example 98
CID 130363463
1-[(3S)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3-methylpiperazin-1-yl]ethanone
CID 132209957
5-[(1R,3R)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
CID 122179476
3-ethyl-5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3,4-oxadiazol-2-one
CID 122179478
5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
CID 122179479
3-[2-(dimethylamino)ethyl]-5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3,4-oxadiazol-2-one
CID 122179481
2-imidazol-1-ylethyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 9871380

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 130363548) is 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)NC1c1cccc(-c2cc(-c3ccnn3C3CCOCC3)c3c(N)ncnn23)c1.
What is the InChIKey of 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is YBAFOFJUJIJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-25(2)22(30-24(33)35-25)16-5-3-4-15(12-16)20-13-18(21-23(26)27-14-29-32(20)21)19-6-9-28-31(19)17-7-10-34-11-8-17/h3-6,9,12-14,17,22H,7-8,10-11H2,1-2H3,(H,30,33)(H2,26,27,29).
What are the key properties of 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 473.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).