2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C62H68N14O4 — CID 90827028

IUPAC2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCCn1cnc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)n1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.Cn1cccc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C23H24N4O2.C23H24N4O.C16H20N6O/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21;1-22(2,28)18-6-4-15-27-20(18)24-25-21(27)23(12-13-23)17-10-8-16(9-11-17)19-7-5-14-26(19)3;1-4-21-10-17-13(20-21)16(7-8-16)14-19-18-12-11(15(2,3)23)6-5-9-22(12)14/h5-10,13,28H,11-12H2,1-4H3;4-11,14-15,28H,12-13H2,1-3H3;5-6,9-10,23H,4,7-8H2,1-3H3
InChIKeyUZWZAUQDIHKULM-UHFFFAOYSA-N
MW1073.32 g/mol
LogP10.00
Rot. Bonds12

About 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 90827028) has the molecular formula C62H68N14O4 and a molecular weight of 1073.32 g/mol. Its IUPAC name is 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID90827028
Molecular FormulaC62H68N14O4
Molecular Weight1073.32 g/mol
Exact Mass1072.55
IUPAC Name2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCCn1cnc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)n1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.Cn1cccc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C23H24N4O2.C23H24N4O.C16H20N6O/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21;1-22(2,28)18-6-4-15-27-20(18)24-25-21(27)23(12-13-23)17-10-8-16(9-11-17)19-7-5-14-26(19)3;1-4-21-10-17-13(20-21)16(7-8-16)14-19-18-12-11(15(2,3)23)6-5-9-22(12)14/h5-10,13,28H,11-12H2,1-4H3;4-11,14-15,28H,12-13H2,1-3H3;5-6,9-10,23H,4,7-8H2,1-3H3
InChIKeyUZWZAUQDIHKULM-UHFFFAOYSA-N
XLogP10.00
TPSA212.93 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.32
LogP ≤ 510.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol with MolForge

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Related Compounds

2-[3-[1-[4-(4-Methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 42633939
2-[3-[1-[4-(2,4-Dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 54671388
N-[8-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-[1-[[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoyl]cyclopropyl]cyclopropane-1-carboxamide
CID 90759639
2-[3-[1-[4-Chloro-3-(2,4-dimethylfuran-3-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 91287441
2,4-Dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole
CID 143786161
5-[2-[7-Amino-12-[[10-[2-(4-ethoxycarbonylphenyl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]pyridine-2-carboxylic acid
CID 146271135
9-[[4-[5-(Hydroxymethyl)-1-methylimidazol-4-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-9-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methyl]purin-8-one
CID 157374127
2-[3-[1-(1-Benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 157475709
2-Methyl-6-[8-methyl-3-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-benzoxazole;2-methyl-6-[3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-benzoxazole;2-methyl-6-[3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-benzoxazole
CID 157798816
5-[4-Amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzoxazol-2-amine;5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-1,3-benzoxazol-2-amine;5-(4-amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 158111687
9-[4-[(4-Acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 158604449
3-[1-[4-[4-(2,5-Diphenylpyrrol-1-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;3-[1-[4-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-5-pyridin-3-ylpyrrol-2-yl]pyridine;2-[4-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
CID 159448458

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 90827028) is 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CCn1cnc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)n1.Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.Cn1cccc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.
What is the InChIKey of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is UZWZAUQDIHKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C23H24N4O.C16H20N6O/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21;1-22(2,28)18-6-4-15-27-20(18)24-25-21(27)23(12-13-23)17-10-8-16(9-11-17)19-7-5-14-26(19)3;1-4-21-10-17-13(20-21)16(7-8-16)14-19-18-12-11(15(2,3)23)6-5-9-22(12)14/h5-10,13,28H,11-12H2,1-4H3;4-11,14-15,28H,12-13H2,1-3H3;5-6,9-10,23H,4,7-8H2,1-3H3.
What are the key properties of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 1073.32 g/mol, XLogP of 10.00, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 90827028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).