7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine

C29H31FN6O2 — CID 166682778

IUPAC7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine
SMILESCN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2CNC3)ccc1[C@@H]1CCOC1)C1COC1
InChIInChI=1S/C29H31FN6O2/c1-35(20-16-38-17-20)14-26-21(18-7-9-37-15-18)3-5-28(34-26)33-25-4-2-22(23-11-31-12-24(23)25)27-13-32-29-10-19(30)6-8-36(27)29/h2-6,8,10,13,18,20,31H,7,9,11-12,14-17H2,1H3,(H,33,34)/t18-/m1/s1
InChIKeyLKWFNVWTTRBQBE-GOSISDBHSA-N
MW514.61 g/mol
LogP4.22
Rot. Bonds7

About 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine

7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine (PubChem CID 166682778) has the molecular formula C29H31FN6O2 and a molecular weight of 514.61 g/mol. Its IUPAC name is 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine.

Molecular Properties

Compound Name7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine
PubChem CID166682778
Molecular FormulaC29H31FN6O2
Molecular Weight514.61 g/mol
Exact Mass514.25
IUPAC Name7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine
SMILESCN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2CNC3)ccc1[C@@H]1CCOC1)C1COC1
InChIInChI=1S/C29H31FN6O2/c1-35(20-16-38-17-20)14-26-21(18-7-9-37-15-18)3-5-28(34-26)33-25-4-2-22(23-11-31-12-24(23)25)27-13-32-29-10-19(30)6-8-36(27)29/h2-6,8,10,13,18,20,31H,7,9,11-12,14-17H2,1H3,(H,33,34)/t18-/m1/s1
InChIKeyLKWFNVWTTRBQBE-GOSISDBHSA-N
XLogP4.22
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine?
The IUPAC name of 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine (CID 166682778) is 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine.
What is the SMILES notation for 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine?
The canonical SMILES for 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine is CN(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2CNC3)ccc1[C@@H]1CCOC1)C1COC1.
What is the InChIKey of 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine?
The InChIKey is LKWFNVWTTRBQBE-GOSISDBHSA-N. The full InChI is InChI=1S/C29H31FN6O2/c1-35(20-16-38-17-20)14-26-21(18-7-9-37-15-18)3-5-28(34-26)33-25-4-2-22(23-11-31-12-24(23)25)27-13-32-29-10-19(30)6-8-36(27)29/h2-6,8,10,13,18,20,31H,7,9,11-12,14-17H2,1H3,(H,33,34)/t18-/m1/s1.
What are the key properties of 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine?
7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine has a molecular weight of 514.61 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[6-[[methyl(oxetan-3-yl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]-2,3-dihydro-1H-isoindol-4-amine is sourced from PubChem (CID 166682778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).