4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate

C92H93F3N18O5 — CID 158981105

IUPAC4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.COCCN(CCOC)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1
InChIInChI=1S/C32H35FN6O2.C30H29FN6O2.C30H29FN6O/c1-23(25-7-5-4-6-8-25)35-32-34-15-13-28(36-32)31-30(26-9-11-27(33)12-10-26)37-29-21-24(14-16-39(29)31)22-38(17-19-40-2)18-20-41-3;1-20(22-7-5-4-6-8-22)33-30-32-15-13-25(34-30)29-28(23-9-11-24(31)12-10-23)35-26-17-21(14-16-37(26)29)18-36(2)19-27(38)39-3;1-21(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/h4-16,21,23H,17-20,22H2,1-3H3,(H,34,35,36);4-17,20H,18-19H2,1-3H3,(H,32,33,34);2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t23-;20-;21-/m000/s1
InChIKeyJOZZNDVZLPGVRM-FCZAKCIXSA-N
MW1587.87 g/mol
LogP16.84
Rot. Bonds29

About 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate

4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate (PubChem CID 158981105) has the molecular formula C92H93F3N18O5 and a molecular weight of 1587.87 g/mol. Its IUPAC name is 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Name4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
PubChem CID158981105
Molecular FormulaC92H93F3N18O5
Molecular Weight1587.87 g/mol
Exact Mass1586.75
IUPAC Name4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.COCCN(CCOC)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1
InChIInChI=1S/C32H35FN6O2.C30H29FN6O2.C30H29FN6O/c1-23(25-7-5-4-6-8-25)35-32-34-15-13-28(36-32)31-30(26-9-11-27(33)12-10-26)37-29-21-24(14-16-39(29)31)22-38(17-19-40-2)18-20-41-3;1-20(22-7-5-4-6-8-22)33-30-32-15-13-25(34-30)29-28(23-9-11-24(31)12-10-23)35-26-17-21(14-16-37(26)29)18-36(2)19-27(38)39-3;1-21(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/h4-16,21,23H,17-20,22H2,1-3H3,(H,34,35,36);4-17,20H,18-19H2,1-3H3,(H,32,33,34);2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t23-;20-;21-/m000/s1
InChIKeyJOZZNDVZLPGVRM-FCZAKCIXSA-N
XLogP16.84
TPSA229.04 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001587.87
LogP ≤ 516.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate with MolForge

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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-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
12-(2-aminopyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-5-carboxamide
CID 137633048
12-(2-aminopyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxamide
CID 137647204
Ethyl (4-((6-((9-cyclopentyl-9 H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-1-piperazinyl)acetate
CID 58299758
Methyl 2-[[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]amino]acetate
CID 58300199
4-[5-[4-[4-[5-[4-(difluoromethyl)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118356314
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133250
N-cyclopentyl-4-[2-(4-fluorophenyl)-6,8-dimorpholino-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10143725
N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholino-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10276224
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117091938

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate?
The IUPAC name of 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;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 158981105) is 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate.
What is the SMILES notation for 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate?
The canonical SMILES for 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.COCCN(CCOC)Cc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3ccc(F)cc3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCOCC4)ccn23)n1)c1ccccc1.
What is the InChIKey of 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate?
The InChIKey is JOZZNDVZLPGVRM-FCZAKCIXSA-N. The full InChI is InChI=1S/C32H35FN6O2.C30H29FN6O2.C30H29FN6O/c1-23(25-7-5-4-6-8-25)35-32-34-15-13-28(36-32)31-30(26-9-11-27(33)12-10-26)37-29-21-24(14-16-39(29)31)22-38(17-19-40-2)18-20-41-3;1-20(22-7-5-4-6-8-22)33-30-32-15-13-25(34-30)29-28(23-9-11-24(31)12-10-23)35-26-17-21(14-16-37(26)29)18-36(2)19-27(38)39-3;1-21(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/h4-16,21,23H,17-20,22H2,1-3H3,(H,34,35,36);4-17,20H,18-19H2,1-3H3,(H,32,33,34);2-14,19,21H,15-18,20H2,1H3,(H,32,33,34)/t23-;20-;21-/m000/s1.
What are the key properties of 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate?
4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate has a molecular weight of 1587.87 g/mol, XLogP of 16.84, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[bis(2-methoxyethyl)amino]methyl]-2-(4-fluorophenyl)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;methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate is sourced from PubChem (CID 158981105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).