3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine

C27H34FN5O3 — CID 169252887

IUPAC3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine
SMILESCCCN1CCCC1.COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC)C(=O)NCC2
InChIInChI=1S/C20H19FN4O3.C7H15N/c1-27-15-10-22-8-6-11(15)17-18(16-13(24-17)7-9-23-20(16)26)25-14-5-3-4-12(21)19(14)28-2;1-2-5-8-6-3-4-7-8/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2-7H2,1H3
InChIKeyFPRVZEPNKZDGFD-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.75
Rot. Bonds7

About 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine

3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine (PubChem CID 169252887) has the molecular formula C27H34FN5O3 and a molecular weight of 495.60 g/mol. Its IUPAC name is 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine.

Molecular Properties

Compound Name3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine
PubChem CID169252887
Molecular FormulaC27H34FN5O3
Molecular Weight495.60 g/mol
Exact Mass495.26
IUPAC Name3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine
SMILESCCCN1CCCC1.COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC)C(=O)NCC2
InChIInChI=1S/C20H19FN4O3.C7H15N/c1-27-15-10-22-8-6-11(15)17-18(16-13(24-17)7-9-23-20(16)26)25-14-5-3-4-12(21)19(14)28-2;1-2-5-8-6-3-4-7-8/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2-7H2,1H3
InChIKeyFPRVZEPNKZDGFD-UHFFFAOYSA-N
XLogP4.75
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(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-(2-ethyl-3-fluoroanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-pyrrolidin-1-ylprop-2-en-1-one
CID 163224450
3-(2-methoxy-3-methylanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-pyrrolidin-1-ylprop-2-en-1-one
CID 163223787
(E)-N-[4-[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]-2-methylbut-3-yn-2-yl]-4-pyrrolidin-1-ylbut-2-enamide
CID 163224119
3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566479
3-(3-fluoro-2-methoxyanilino)-2-[3-[[(7R)-6-prop-2-enoyl-2-oxa-6-azaspiro[3.3]heptan-7-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 170384181
2-[3-[[1-[(E)-4-bromobut-2-enoyl]azetidin-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 175485050
3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566439
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
tert-butyl N-[4-[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]-2-methylbut-3-yn-2-yl]carbamate
CID 163223708

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine?
The IUPAC name of 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) is 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine.
What is the SMILES notation for 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine?
The canonical SMILES for 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine is CCCN1CCCC1.COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC)C(=O)NCC2.
What is the InChIKey of 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine?
The InChIKey is FPRVZEPNKZDGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3.C7H15N/c1-27-15-10-22-8-6-11(15)17-18(16-13(24-17)7-9-23-20(16)26)25-14-5-3-4-12(21)19(14)28-2;1-2-5-8-6-3-4-7-8/h3-6,8,10,24-25H,7,9H2,1-2H3,(H,23,26);2-7H2,1H3.
What are the key properties of 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine?
3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine has a molecular weight of 495.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine is sourced from PubChem (CID 169252887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).