4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C30H29FN6O — CID 58824370

IUPAC4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1
InChIInChI=1S/C30H29FN6O/c1-21(23-5-3-2-4-6-23)33-30-32-13-11-26(34-30)29-28(24-7-9-25(31)10-8-24)35-27-19-22(12-14-37(27)29)20-36-15-17-38-18-16-36/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t21-/m0/s1
InChIKeyNBBNGKATOGBXBG-NRFANRHFSA-N
MW508.60 g/mol
LogP5.60
Rot. Bonds7

About 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 58824370) has the molecular formula C30H29FN6O and a molecular weight of 508.60 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID58824370
Molecular FormulaC30H29FN6O
Molecular Weight508.60 g/mol
Exact Mass508.24
IUPAC Name4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1
InChIInChI=1S/C30H29FN6O/c1-21(23-5-3-2-4-6-23)33-30-32-13-11-26(34-30)29-28(24-7-9-25(31)10-8-24)35-27-19-22(12-14-37(27)29)20-36-15-17-38-18-16-36/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t21-/m0/s1
InChIKeyNBBNGKATOGBXBG-NRFANRHFSA-N
XLogP5.60
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 75027134
methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
CID 58824540
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide
CID 58824318
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
CID 58824481
4-[4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59988454
N,N-diethyl-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetamide;tetradeca-1,3,5,7,9,11,13-heptayne
CID 158418264
[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824537
[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824388
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339
4-[5-(4-fluorophenyl)-3-(oxolan-3-yl)triazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22675213
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 58824370) is 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is NBBNGKATOGBXBG-NRFANRHFSA-N. The full InChI is InChI=1S/C30H29FN6O/c1-21(23-5-3-2-4-6-23)33-30-32-13-11-26(34-30)29-28(24-7-9-25(31)10-8-24)35-27-19-22(12-14-37(27)29)20-36-15-17-38-18-16-36/h2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t21-/m0/s1.
What are the key properties of 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 508.60 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 58824370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).