7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C26H24ClF3N6O3 — CID 146270195

IUPAC7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOCC1Cn2cc(-c3cc(Nc4ccnn4C(F)F)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C26H24ClF3N6O3/c1-39-14-19-12-34-10-17(7-22(34)25(38)35(19)11-16-6-18(28)3-2-15(16)13-37)20-8-23(31-9-21(20)27)33-24-4-5-32-36(24)26(29)30/h2-10,19,26,37H,11-14H2,1H3,(H,31,33)
InChIKeyOYPBURQKKKNBJC-UHFFFAOYSA-N
MW560.96 g/mol
LogP4.84
Rot. Bonds9

About 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270195) has the molecular formula C26H24ClF3N6O3 and a molecular weight of 560.96 g/mol. Its IUPAC name is 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270195
Molecular FormulaC26H24ClF3N6O3
Molecular Weight560.96 g/mol
Exact Mass560.16
IUPAC Name7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOCC1Cn2cc(-c3cc(Nc4ccnn4C(F)F)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C26H24ClF3N6O3/c1-39-14-19-12-34-10-17(7-22(34)25(38)35(19)11-16-6-18(28)3-2-15(16)13-37)20-8-23(31-9-21(20)27)33-24-4-5-32-36(24)26(29)30/h2-10,19,26,37H,11-14H2,1H3,(H,31,33)
InChIKeyOYPBURQKKKNBJC-UHFFFAOYSA-N
XLogP4.84
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.96
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270195) is 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is COCC1Cn2cc(-c3cc(Nc4ccnn4C(F)F)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.
What is the InChIKey of 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OYPBURQKKKNBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N6O3/c1-39-14-19-12-34-10-17(7-22(34)25(38)35(19)11-16-6-18(28)3-2-15(16)13-37)20-8-23(31-9-21(20)27)33-24-4-5-32-36(24)26(29)30/h2-10,19,26,37H,11-14H2,1H3,(H,31,33).
What are the key properties of 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 560.96 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-[[2-(difluoromethyl)pyrazol-3-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).