(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C27H27ClN8O2 — CID 146270289

IUPAC(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1ccc2cnn(C)c2c1
InChIInChI=1S/C27H27ClN8O2/c1-33-23-8-17(4-5-18(23)11-31-33)13-36-20(16-38-3)15-35-14-19(9-24(35)27(36)37)21-10-25(29-12-22(21)28)32-26-6-7-30-34(26)2/h4-12,14,20H,13,15-16H2,1-3H3,(H,29,32)/t20-/m1/s1
InChIKeyWOWVGPRUPHMRJT-HXUWFJFHSA-N
MW531.02 g/mol
LogP4.24
Rot. Bonds7

About (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270289) has the molecular formula C27H27ClN8O2 and a molecular weight of 531.02 g/mol. Its IUPAC name is (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270289
Molecular FormulaC27H27ClN8O2
Molecular Weight531.02 g/mol
Exact Mass530.19
IUPAC Name(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1ccc2cnn(C)c2c1
InChIInChI=1S/C27H27ClN8O2/c1-33-23-8-17(4-5-18(23)11-31-33)13-36-20(16-38-3)15-35-14-19(9-24(35)27(36)37)21-10-25(29-12-22(21)28)32-26-6-7-30-34(26)2/h4-12,14,20H,13,15-16H2,1-3H3,(H,29,32)/t20-/m1/s1
InChIKeyWOWVGPRUPHMRJT-HXUWFJFHSA-N
XLogP4.24
TPSA95.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.02
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371850
(3R)-7-[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371872
(3R)-7-[5-chloro-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270294
(3R)-7-[5-chloro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270290
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[(3-fluorophenyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270387
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270496
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
7-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270472
7-[dideuterio-(3-fluoro-4-methylphenyl)methyl]-6-(methoxymethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]-5-(trideuteriomethyl)pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[dideuterio-(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-(trideuteriomethoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[dideuterio-(3-fluoro-4-methylphenyl)methyl]-2-[2-[(2-methylpyrazol-3-yl)amino]-5-(trideuteriomethyl)pyrimidin-4-yl]-6-(trideuteriomethoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[dideuterio-(3-fluoro-4-methylphenyl)methyl]-6-(trideuteriomethoxymethyl)-2-[5-(trideuteriomethyl)-2-[[2-(trideuteriomethyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[(3-fluoro-4-methylphenyl)methyl]-6-(methoxymethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]-5-(trideuteriomethyl)pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[(3-fluoro-4-methylphenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6-(trideuteriomethoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one;7-[(3-fluoro-4-methylphenyl)methyl]-2-[2-[(2-methylpyrazol-3-yl)amino]-5-(trideuteriomethyl)pyrimidin-4-yl]-6-(trideuteriomethoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 163885888
[2-[[(3R)-7-[5-chloro-2-(1,2-oxazol-5-ylamino)-4-pyridinyl]-3-(methoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorophenyl]methanol
CID 156654052
5-chloro-4-[8,8-difluoro-5-(3-fluoro-2,3-dimethylbutan-2-yl)-3,4,6,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-12-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376444
5-chloro-4-[5-[(2-fluorophenyl)methyl]-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376375

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270289) is (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is COC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1ccc2cnn(C)c2c1.
What is the InChIKey of (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WOWVGPRUPHMRJT-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27ClN8O2/c1-33-23-8-17(4-5-18(23)11-31-33)13-36-20(16-38-3)15-35-14-19(9-24(35)27(36)37)21-10-25(29-12-22(21)28)32-26-6-7-30-34(26)2/h4-12,14,20H,13,15-16H2,1-3H3,(H,29,32)/t20-/m1/s1.
What are the key properties of (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 531.02 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).