3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

C28H32FN5O3 — CID 163279896

About 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one

3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (PubChem CID 163279896) has the molecular formula C28H32FN5O3 and a molecular weight of 505.59 g/mol. Its IUPAC name is 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

Molecular Properties

• Compound Name: 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
• PubChem CID: 163279896
• Molecular Formula: C28H32FN5O3
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.25
• IUPAC Name: 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
• SMILES: CCc1c(F)cccc1Nc1c(-c2ccncc2OC[C@@H]2CN(C)CCO2)[nH]c2c1C(=O)NCC21CC1
• InChI: InChI=1S/C28H32FN5O3/c1-3-18-20(29)5-4-6-21(18)32-25-23-26(28(8-9-28)16-31-27(23)35)33-24(25)19-7-10-30-13-22(19)37-15-17-14-34(2)11-12-36-17/h4-7,10,13,17,32-33H,3,8-9,11-12,14-16H2,1-2H3,(H,31,35)/t17-/m0/s1
• InChIKey: UUKDFGYXVOADNN-KRWDZBQOSA-N
• XLogP: 4.01
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The IUPAC name of 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one (CID 163279896) is 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

What is the SMILES notation for 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The canonical SMILES for 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is CCc1c(F)cccc1Nc1c(-c2ccncc2OC[C@@H]2CN(C)CCO2)[nH]c2c1C(=O)NCC21CC1.

What is the InChIKey of 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The InChIKey is UUKDFGYXVOADNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H32FN5O3/c1-3-18-20(29)5-4-6-21(18)32-25-23-26(28(8-9-28)16-31-27(23)35)33-24(25)19-7-10-30-13-22(19)37-15-17-14-34(2)11-12-36-17/h4-7,10,13,17,32-33H,3,8-9,11-12,14-16H2,1-2H3,(H,31,35)/t17-/m0/s1.

What are the key properties of 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one has a molecular weight of 505.59 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-ethyl-3-fluoroanilino)-2-[3-[[(2S)-4-methylmorpholin-2-yl]methoxy]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 163279896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).