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

C46H36N10O4 — CID 90759639

IUPACN-[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
SMILESCc1ccc(COc2ccc(-c3cccn4nc(NC(=O)C5(C6(C(=O)Nc7nc8c(-c9ccc%10oc(-c%11ccccc%11)nc%10c9)cccn8n7)CC6)CC5)nc34)cc2)cn1
InChIInChI=1S/C46H36N10O4/c1-28-11-12-29(26-47-28)27-59-33-16-13-30(14-17-33)34-9-5-23-55-38(34)49-43(53-55)51-41(57)45(19-20-45)46(21-22-46)42(58)52-44-50-39-35(10-6-24-56(39)54-44)32-15-18-37-36(25-32)48-40(60-37)31-7-3-2-4-8-31/h2-18,23-26H,19-22,27H2,1H3,(H,51,53,57)(H,52,54,58)
InChIKeyOMWZLVDWYHXKHM-UHFFFAOYSA-N
MW792.86 g/mol
LogP8.33
Rot. Bonds11

About 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

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 (PubChem CID 90759639) has the molecular formula C46H36N10O4 and a molecular weight of 792.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID90759639
Molecular FormulaC46H36N10O4
Molecular Weight792.86 g/mol
Exact Mass792.29
IUPAC NameN-[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
SMILESCc1ccc(COc2ccc(-c3cccn4nc(NC(=O)C5(C6(C(=O)Nc7nc8c(-c9ccc%10oc(-c%11ccccc%11)nc%10c9)cccn8n7)CC6)CC5)nc34)cc2)cn1
InChIInChI=1S/C46H36N10O4/c1-28-11-12-29(26-47-28)27-59-33-16-13-30(14-17-33)34-9-5-23-55-38(34)49-43(53-55)51-41(57)45(19-20-45)46(21-22-46)42(58)52-44-50-39-35(10-6-24-56(39)54-44)32-15-18-37-36(25-32)48-40(60-37)31-7-3-2-4-8-31/h2-18,23-26H,19-22,27H2,1H3,(H,51,53,57)(H,52,54,58)
InChIKeyOMWZLVDWYHXKHM-UHFFFAOYSA-N
XLogP8.33
TPSA166.73 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.86
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009105
5-[4-Amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 58515098
1-(benzo[d]oxazol-2-yl)-N-(4-(3-(4-(dimethylamino)piperidin-1-yl)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)cyclopropanecarboxamide
CID 68516154
N-[(1S)-1-cyclopropylethyl]-7-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2,3-dihydropyran-6-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyloxan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-4-propan-2-ylimidazolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridazin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridazin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164091003
[6-(2-Amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 71037736
5-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(E)-11-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-11-oxoundec-9-enyl]pentanamide
CID 175874085
2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 172419762
N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44624258
5-[4-Amino-1-[[1-(1-ethylpiperidin-4-yl)oxy-8-methylisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 49820531
5-Tert-butyl-2-[4-[2-[4-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 57239082
3-(2-Benzyl-1,3-benzoxazol-5-yl)-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68457407
N-[4-[4-amino-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-7-tert-butyl-5-methyl-1,3-benzoxazol-2-amine
CID 68805076

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(COc2ccc(-c3cccn4nc(NC(=O)C5(C6(C(=O)Nc7nc8c(-c9ccc%10oc(-c%11ccccc%11)nc%10c9)cccn8n7)CC6)CC5)nc34)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is OMWZLVDWYHXKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N10O4/c1-28-11-12-29(26-47-28)27-59-33-16-13-30(14-17-33)34-9-5-23-55-38(34)49-43(53-55)51-41(57)45(19-20-45)46(21-22-46)42(58)52-44-50-39-35(10-6-24-56(39)54-44)32-15-18-37-36(25-32)48-40(60-37)31-7-3-2-4-8-31/h2-18,23-26H,19-22,27H2,1H3,(H,51,53,57)(H,52,54,58).
What are the key properties of 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?
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 has a molecular weight of 792.86 g/mol, XLogP of 8.33, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90759639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).