3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H26FN5O2 — CID 142566530

IUPAC3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC[C@H]1COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C24H26FN5O2/c1-30-11-3-6-17(30)14-32-20-13-26-9-7-18(20)22-23(28-16-5-2-4-15(25)12-16)21-19(29-22)8-10-27-24(21)31/h2,4-5,7,9,12-13,17,28-29H,3,6,8,10-11,14H2,1H3,(H,27,31)/t17-/m0/s1
InChIKeyJNMFKNJJRVYAEN-KRWDZBQOSA-N
MW435.50 g/mol
LogP3.72
Rot. Bonds6

About 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566530) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566530
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC[C@H]1COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C24H26FN5O2/c1-30-11-3-6-17(30)14-32-20-13-26-9-7-18(20)22-23(28-16-5-2-4-15(25)12-16)21-19(29-22)8-10-27-24(21)31/h2,4-5,7,9,12-13,17,28-29H,3,6,8,10-11,14H2,1H3,(H,27,31)/t17-/m0/s1
InChIKeyJNMFKNJJRVYAEN-KRWDZBQOSA-N
XLogP3.72
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566530) is 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CN1CCC[C@H]1COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2.
What is the InChIKey of 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is JNMFKNJJRVYAEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-30-11-3-6-17(30)14-32-20-13-26-9-7-18(20)22-23(28-16-5-2-4-15(25)12-16)21-19(29-22)8-10-27-24(21)31/h2,4-5,7,9,12-13,17,28-29H,3,6,8,10-11,14H2,1H3,(H,27,31)/t17-/m0/s1.
What are the key properties of 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 435.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).