2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H26FN5O4 — CID 163279874

IUPAC2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(F)cccc1Nc1c(-c2ccnc(N)c2OC[C@@H]2CCCO2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C24H26FN5O4/c1-32-22-15(25)5-2-6-17(22)30-20-18-16(8-10-28-24(18)31)29-19(20)14-7-9-27-23(26)21(14)34-12-13-4-3-11-33-13/h2,5-7,9,13,29-30H,3-4,8,10-12H2,1H3,(H2,26,27)(H,28,31)/t13-/m0/s1
InChIKeyCVKLUKVCXDOREB-ZDUSSCGKSA-N
MW467.50 g/mol
LogP3.39
Rot. Bonds7

About 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163279874) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163279874
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(F)cccc1Nc1c(-c2ccnc(N)c2OC[C@@H]2CCCO2)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C24H26FN5O4/c1-32-22-15(25)5-2-6-17(22)30-20-18-16(8-10-28-24(18)31)29-19(20)14-7-9-27-23(26)21(14)34-12-13-4-3-11-33-13/h2,5-7,9,13,29-30H,3-4,8,10-12H2,1H3,(H2,26,27)(H,28,31)/t13-/m0/s1
InChIKeyCVKLUKVCXDOREB-ZDUSSCGKSA-N
XLogP3.39
TPSA123.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398566
2-[2-amino-3-(2-methoxyethoxy)-4-pyridinyl]-3-(3-fluoro-2-methylanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163279881
2-[3-[[(2R)-azetidin-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155241029
3-[(1-methylindazol-4-yl)amino]-2-[3-[[(2R)-oxolan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163280105
3-(3-chloro-2-methoxyanilino)-2-[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250180
3-(3-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
3-(3-fluoro-2-methoxyanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 150618680
3-(3-fluoro-2-methoxyanilino)-2-(2-phenyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249962
3-(3-chloro-5-fluoro-2-methoxyanilino)-2-[3-[[(2S)-oxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155714462
(7R)-7-(2-fluoroethyl)-3-(3-fluoro-2-methoxyanilino)-2-[3-[[(2R)-oxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163280113
3-(3-fluoro-2-methoxyanilino)-2-[3-[(E)-pent-3-enoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methanol
CID 163292316
3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine
CID 169252887

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163279874) is 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(F)cccc1Nc1c(-c2ccnc(N)c2OC[C@@H]2CCCO2)[nH]c2c1C(=O)NCC2.
What is the InChIKey of 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CVKLUKVCXDOREB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-32-22-15(25)5-2-6-17(22)30-20-18-16(8-10-28-24(18)31)29-19(20)14-7-9-27-23(26)21(14)34-12-13-4-3-11-33-13/h2,5-7,9,13,29-30H,3-4,8,10-12H2,1H3,(H2,26,27)(H,28,31)/t13-/m0/s1.
What are the key properties of 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 467.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163279874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).