4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine

C42H54N10O — CID 145424825

IUPAC4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine
SMILESCc1cccnc1CN1CCCC1c1nccn1CC1CCN(Cc2ccnc(C3CCCN3Cc3nc4ccccn4c3N3CCOCC3)c2)CC1
InChIInChI=1S/C42H54N10O/c1-32-7-4-14-43-36(32)30-50-18-6-9-39(50)41-45-16-22-51(41)29-33-12-20-47(21-13-33)28-34-11-15-44-35(27-34)38-8-5-17-49(38)31-37-42(48-23-25-53-26-24-48)52-19-3-2-10-40(52)46-37/h2-4,7,10-11,14-16,19,22,27,33,38-39H,5-6,8-9,12-13,17-18,20-21,23-26,28-31H2,1H3
InChIKeyUGINIVMSAYABJF-UHFFFAOYSA-N
MW714.96 g/mol
LogP6.05
Rot. Bonds11

About 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine

4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine (PubChem CID 145424825) has the molecular formula C42H54N10O and a molecular weight of 714.96 g/mol. Its IUPAC name is 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine
PubChem CID145424825
Molecular FormulaC42H54N10O
Molecular Weight714.96 g/mol
Exact Mass714.45
IUPAC Name4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine
SMILESCc1cccnc1CN1CCCC1c1nccn1CC1CCN(Cc2ccnc(C3CCCN3Cc3nc4ccccn4c3N3CCOCC3)c2)CC1
InChIInChI=1S/C42H54N10O/c1-32-7-4-14-43-36(32)30-50-18-6-9-39(50)41-45-16-22-51(41)29-33-12-20-47(21-13-33)28-34-11-15-44-35(27-34)38-8-5-17-49(38)31-37-42(48-23-25-53-26-24-48)52-19-3-2-10-40(52)46-37/h2-4,7,10-11,14-16,19,22,27,33,38-39H,5-6,8-9,12-13,17-18,20-21,23-26,28-31H2,1H3
InChIKeyUGINIVMSAYABJF-UHFFFAOYSA-N
XLogP6.05
TPSA83.09 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.96
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine with MolForge

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Related Compounds

4-[[4-(2-Methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
CID 146315950
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
N-methyl-N-[(5-morpholinoimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 45487054
4-[3-[1-(2-Methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380289
4-[3-(6-Cyclopropyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380384
4-[2-Methyl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380385
4-[2-Methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413400
4-[2-Methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413428
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560
4-[2-Methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193
4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67423384

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The IUPAC name of 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine (CID 145424825) is 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine is Cc1cccnc1CN1CCCC1c1nccn1CC1CCN(Cc2ccnc(C3CCCN3Cc3nc4ccccn4c3N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine?
The InChIKey is UGINIVMSAYABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N10O/c1-32-7-4-14-43-36(32)30-50-18-6-9-39(50)41-45-16-22-51(41)29-33-12-20-47(21-13-33)28-34-11-15-44-35(27-34)38-8-5-17-49(38)31-37-42(48-23-25-53-26-24-48)52-19-3-2-10-40(52)46-37/h2-4,7,10-11,14-16,19,22,27,33,38-39H,5-6,8-9,12-13,17-18,20-21,23-26,28-31H2,1H3.
What are the key properties of 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine?
4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine has a molecular weight of 714.96 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[4-[[4-[[2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]imidazol-1-yl]methyl]piperidin-1-yl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]morpholine is sourced from PubChem (CID 145424825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).