3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C26H30FN5O3 — CID 142566502

IUPAC3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2)N1CCOCC1
InChIInChI=1S/C26H30FN5O3/c1-26(2,32-10-12-34-13-11-32)16-35-21-15-28-8-6-19(21)23-24(30-18-5-3-4-17(27)14-18)22-20(31-23)7-9-29-25(22)33/h3-6,8,14-15,30-31H,7,9-13,16H2,1-2H3,(H,29,33)
InChIKeyVJQDQSREKOEKLZ-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.73
Rot. Bonds7

About 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566502) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566502
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2)N1CCOCC1
InChIInChI=1S/C26H30FN5O3/c1-26(2,32-10-12-34-13-11-32)16-35-21-15-28-8-6-19(21)23-24(30-18-5-3-4-17(27)14-18)22-20(31-23)7-9-29-25(22)33/h3-6,8,14-15,30-31H,7,9-13,16H2,1-2H3,(H,29,33)
InChIKeyVJQDQSREKOEKLZ-UHFFFAOYSA-N
XLogP3.73
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566502) is 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)(COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2)N1CCOCC1.
What is the InChIKey of 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VJQDQSREKOEKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-26(2,32-10-12-34-13-11-32)16-35-21-15-28-8-6-19(21)23-24(30-18-5-3-4-17(27)14-18)22-20(31-23)7-9-29-25(22)33/h3-6,8,14-15,30-31H,7,9-13,16H2,1-2H3,(H,29,33).
What are the key properties of 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 479.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-[3-(2-methyl-2-morpholin-4-ylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).