[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

C25H25ClFN5O3 — CID 156654052

IUPAC[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
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ccno4)ncc3Cl)cc2CN1Cc1cc(F)ccc1CO
InChIInChI=1S/C25H25ClFN5O3/c1-34-15-21-13-31-11-18(22-8-24(28-9-23(22)26)30-25-4-5-29-35-25)7-20(31)12-32(21)10-17-6-19(27)3-2-16(17)14-33/h2-9,11,21,33H,10,12-15H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyMRJKURMIVIBLAZ-OAQYLSRUSA-N
MW497.96 g/mol
LogP4.60
Rot. Bonds8

About [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

[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 (PubChem CID 156654052) has the molecular formula C25H25ClFN5O3 and a molecular weight of 497.96 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID156654052
Molecular FormulaC25H25ClFN5O3
Molecular Weight497.96 g/mol
Exact Mass497.16
IUPAC Name[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
SMILESCOC[C@H]1Cn2cc(-c3cc(Nc4ccno4)ncc3Cl)cc2CN1Cc1cc(F)ccc1CO
InChIInChI=1S/C25H25ClFN5O3/c1-34-15-21-13-31-11-18(22-8-24(28-9-23(22)26)30-25-4-5-29-35-25)7-20(31)12-32(21)10-17-6-19(27)3-2-16(17)14-33/h2-9,11,21,33H,10,12-15H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyMRJKURMIVIBLAZ-OAQYLSRUSA-N
XLogP4.60
TPSA88.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

[2-[[(3R)-7-[5-chloro-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-4-pyridinyl]-3-(methoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorophenyl]methanol
CID 175789860
(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
(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
(6R)-2-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-7-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-6-(methoxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 146270192
(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
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[[4-fluoro-2-(hydroxymethyl)phenyl]methyl]spiro[3,5-dihydropyrrolo[1,2-a][1,4]diazepine-4,3'-oxetane]-1-one
CID 146270413
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-[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
5,5-bis(bromomethyl)-1,3-dioxane;2,2-bis(bromomethyl)propane-1,3-diol;4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-N-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide;8'-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2'-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]spiro[1,3-dioxane-5,4'-3,5-dihydropyrrolo[1,2-a][1,4]diazepine]-1'-one
CID 159627143
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-4,4-bis(hydroxymethyl)-2-[[2-(hydroxymethyl)phenyl]methyl]-3,5-dihydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 146270410

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC[C@H]1Cn2cc(-c3cc(Nc4ccno4)ncc3Cl)cc2CN1Cc1cc(F)ccc1CO.
What is the InChIKey of [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?
The InChIKey is MRJKURMIVIBLAZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25ClFN5O3/c1-34-15-21-13-31-11-18(22-8-24(28-9-23(22)26)30-25-4-5-29-35-25)7-20(31)12-32(21)10-17-6-19(27)3-2-16(17)14-33/h2-9,11,21,33H,10,12-15H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 497.96 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 156654052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).