8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine

C66H63N15O — CID 91176109

IUPAC8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2n[nH]c(C3CCN(Cc4ccc(C5(c6ccc(CN7CCC(c8nc(-c9cccc(C)n9)n[nH]8)CC7)cc6)N=C6C(OCc7cccn8ccnc78)=NC=CN6C5(c5ccccc5)c5ccccc5)cc4)CC3)n2)n1
InChIInChI=1S/C66H63N15O/c1-45-12-9-19-56(69-45)60-71-58(74-76-60)49-29-36-78(37-30-49)42-47-21-25-52(26-22-47)65(53-27-23-48(24-28-53)43-79-38-31-50(32-39-79)59-72-61(77-75-59)57-20-10-13-46(2)70-57)66(54-15-5-3-6-16-54,55-17-7-4-8-18-55)81-41-34-68-64(63(81)73-65)82-44-51-14-11-35-80-40-33-67-62(51)80/h3-28,33-35,40-41,49-50H,29-32,36-39,42-44H2,1-2H3,(H,71,74,76)(H,72,75,77)
InChIKeyFKEVHWPHFUZTSQ-UHFFFAOYSA-N
MW1082.33 g/mol
LogP11.07
Rot. Bonds14

About 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine

8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine (PubChem CID 91176109) has the molecular formula C66H63N15O and a molecular weight of 1082.33 g/mol. Its IUPAC name is 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine
PubChem CID91176109
Molecular FormulaC66H63N15O
Molecular Weight1082.33 g/mol
Exact Mass1081.53
IUPAC Name8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2n[nH]c(C3CCN(Cc4ccc(C5(c6ccc(CN7CCC(c8nc(-c9cccc(C)n9)n[nH]8)CC7)cc6)N=C6C(OCc7cccn8ccnc78)=NC=CN6C5(c5ccccc5)c5ccccc5)cc4)CC3)n2)n1
InChIInChI=1S/C66H63N15O/c1-45-12-9-19-56(69-45)60-71-58(74-76-60)49-29-36-78(37-30-49)42-47-21-25-52(26-22-47)65(53-27-23-48(24-28-53)43-79-38-31-50(32-39-79)59-72-61(77-75-59)57-20-10-13-46(2)70-57)66(54-15-5-3-6-16-54,55-17-7-4-8-18-55)81-41-34-68-64(63(81)73-65)82-44-51-14-11-35-80-40-33-67-62(51)80/h3-28,33-35,40-41,49-50H,29-32,36-39,42-44H2,1-2H3,(H,71,74,76)(H,72,75,77)
InChIKeyFKEVHWPHFUZTSQ-UHFFFAOYSA-N
XLogP11.07
TPSA169.89 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.33
LogP ≤ 511.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine with MolForge

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Related Compounds

4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 165030808
8-methoxy-2-[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3-phenylimidazo[1,2-a]pyrazine
CID 25187304
8-methoxy-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25188133
8-methoxy-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrazine
CID 25188679
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,5-b]pyridazine;1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 158433535
1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-2-methylpropan-2-amine;4-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]morpholine
CID 158703195
2-methoxy-N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N',N'-dimethylethane-1,2-diamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-2-morpholin-4-ylethanamine
CID 159346431
azane;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 160259255
5-(1-ethylpyrazol-4-yl)-3-(2H-indazol-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 160986948
(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-phenylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-phenylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 161781913
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;imidazo[1,5-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);imidazo[1,5-c]pyrimidine;1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 161826177
3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 161913495

Frequently Asked Questions

What is the IUPAC name of 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine?
The IUPAC name of 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine (CID 91176109) is 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine?
The canonical SMILES for 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine is Cc1cccc(-c2n[nH]c(C3CCN(Cc4ccc(C5(c6ccc(CN7CCC(c8nc(-c9cccc(C)n9)n[nH]8)CC7)cc6)N=C6C(OCc7cccn8ccnc78)=NC=CN6C5(c5ccccc5)c5ccccc5)cc4)CC3)n2)n1.
What is the InChIKey of 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine?
The InChIKey is FKEVHWPHFUZTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H63N15O/c1-45-12-9-19-56(69-45)60-71-58(74-76-60)49-29-36-78(37-30-49)42-47-21-25-52(26-22-47)65(53-27-23-48(24-28-53)43-79-38-31-50(32-39-79)59-72-61(77-75-59)57-20-10-13-46(2)70-57)66(54-15-5-3-6-16-54,55-17-7-4-8-18-55)81-41-34-68-64(63(81)73-65)82-44-51-14-11-35-80-40-33-67-62(51)80/h3-28,33-35,40-41,49-50H,29-32,36-39,42-44H2,1-2H3,(H,71,74,76)(H,72,75,77).
What are the key properties of 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine?
8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine has a molecular weight of 1082.33 g/mol, XLogP of 11.07, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(imidazo[1,2-a]pyridin-8-ylmethoxy)-2,2-bis[4-[[4-[3-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]-3,3-diphenylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 91176109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).