7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one

C26H23ClF2N6O3 — CID 167179327

IUPAC7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCOCc1cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2c(=O)n1Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C26H23ClF2N6O3/c1-33-25(3-4-31-33)32-24-8-19(20(27)9-30-24)16-7-23-26(37)35(18(14-38-2)12-34(23)10-16)11-15-5-21(28)22(29)6-17(15)13-36/h3-10,12,36H,11,13-14H2,1-2H3,(H,30,32)
InChIKeyIPFIGCMLTZAOAH-UHFFFAOYSA-N
MW540.96 g/mol
LogP4.26
Rot. Bonds8

About 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one

7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 167179327) has the molecular formula C26H23ClF2N6O3 and a molecular weight of 540.96 g/mol. Its IUPAC name is 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID167179327
Molecular FormulaC26H23ClF2N6O3
Molecular Weight540.96 g/mol
Exact Mass540.15
IUPAC Name7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCOCc1cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2c(=O)n1Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C26H23ClF2N6O3/c1-33-25(3-4-31-33)32-24-8-19(20(27)9-30-24)16-7-23-26(37)35(18(14-38-2)12-34(23)10-16)11-15-5-21(28)22(29)6-17(15)13-36/h3-10,12,36H,11,13-14H2,1-2H3,(H,30,32)
InChIKeyIPFIGCMLTZAOAH-UHFFFAOYSA-N
XLogP4.26
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.96
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridine-2-carboxamide
CID 73291797
US10457669, Example 805
CID 129077371
US10457669, Example 908
CID 129078240
US10457669, Example 1058
CID 129078255
2-[4-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-10-fluoro-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
CID 164749387
10-fluoro-2-[3-(hydroxymethyl)-4-[5-[[5-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-6,7,8,9-tetrahydropyrazino[1,2-a]indol-1-one
CID 164749453
US10457669, Example 867
CID 129077918
US11001575, Example 824
CID 129078150
US10457669, Example 781
CID 129078214
10-[3-(Hydroxymethyl)-4-[5-[[5-(methoxymethyl)-1-methylpyrazol-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-pyridinyl]-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,11-trien-9-one
CID 164749472
2-[4-[5-[(1,5-Dimethylpyrazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-(hydroxymethyl)-2-pyridinyl]-10-fluoro-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 71558859
2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681690

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one (CID 167179327) is 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one is COCc1cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2c(=O)n1Cc1cc(F)c(F)cc1CO.
What is the InChIKey of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is IPFIGCMLTZAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N6O3/c1-33-25(3-4-31-33)32-24-8-19(20(27)9-30-24)16-7-23-26(37)35(18(14-38-2)12-34(23)10-16)11-15-5-21(28)22(29)6-17(15)13-36/h3-10,12,36H,11,13-14H2,1-2H3,(H,30,32).
What are the key properties of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one?
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 540.96 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 167179327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).