6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one

C27H36N6O2 — CID 155272810

IUPAC6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one
SMILESCOc1cc(-c2cc3[nH]c(=O)n(C4CCC(NCC(C)C)CC4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C27H36N6O2/c1-16(2)13-28-19-6-8-20(9-7-19)33-24-12-21(17(3)4)22(11-23(24)31-27(33)34)18-10-25(35-5)26-29-15-30-32(26)14-18/h10-12,14-17,19-20,28H,6-9,13H2,1-5H3,(H,31,34)
InChIKeyQPMAALSAOSKBPX-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.90
Rot. Bonds7

About 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one

6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 155272810) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one
PubChem CID155272810
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one
SMILESCOc1cc(-c2cc3[nH]c(=O)n(C4CCC(NCC(C)C)CC4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C27H36N6O2/c1-16(2)13-28-19-6-8-20(9-7-19)33-24-12-21(17(3)4)22(11-23(24)31-27(33)34)18-10-25(35-5)26-29-15-30-32(26)14-18/h10-12,14-17,19-20,28H,6-9,13H2,1-5H3,(H,31,34)
InChIKeyQPMAALSAOSKBPX-UHFFFAOYSA-N
XLogP4.90
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[4-(2-ethylbutylamino)cyclohexyl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272688
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3S)-1-methylpiperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272934
3-[(3R)-1-ethylpiperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272899
3-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272973
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272939
3-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272674
3-[(3R)-1-(2-ethylbutyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272668
3-[4-(2-methoxyethylamino)cyclohexyl]-6-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272746
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one
CID 155272771
5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one
CID 155272731
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-methyl-3-[(3R)-1-pentan-3-ylpiperidin-3-yl]-1H-benzimidazol-2-one
CID 155272872
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 155272663

Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one (CID 155272810) is 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one is COc1cc(-c2cc3[nH]c(=O)n(C4CCC(NCC(C)C)CC4)c3cc2C(C)C)cn2ncnc12.
What is the InChIKey of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is QPMAALSAOSKBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-16(2)13-28-19-6-8-20(9-7-19)33-24-12-21(17(3)4)22(11-23(24)31-27(33)34)18-10-25(35-5)26-29-15-30-32(26)14-18/h10-12,14-17,19-20,28H,6-9,13H2,1-5H3,(H,31,34).
What are the key properties of 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one?
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 476.63 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 155272810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).