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

C27H34N6O3 — CID 155272939

IUPAC6-(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
SMILESCOc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C5CCOCC5)C4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O3/c1-17(2)21-13-24-23(12-22(21)18-11-25(35-3)26-28-16-29-32(26)14-18)30-27(34)33(24)20-5-4-8-31(15-20)19-6-9-36-10-7-19/h11-14,16-17,19-20H,4-10,15H2,1-3H3,(H,30,34)/t20-/m0/s1
InChIKeyUDQTUEORWJNQRU-FQEVSTJZSA-N
MW490.61 g/mol
LogP3.99
Rot. Bonds5

About 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

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 (PubChem CID 155272939) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID155272939
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name6-(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
SMILESCOc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C5CCOCC5)C4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34N6O3/c1-17(2)21-13-24-23(12-22(21)18-11-25(35-3)26-28-16-29-32(26)14-18)30-27(34)33(24)20-5-4-8-31(15-20)19-6-9-36-10-7-19/h11-14,16-17,19-20H,4-10,15H2,1-3H3,(H,30,34)/t20-/m0/s1
InChIKeyUDQTUEORWJNQRU-FQEVSTJZSA-N
XLogP3.99
TPSA89.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 155272599
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
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
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
5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
CID 155272885
6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272697

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C5CCOCC5)C4)c3cc2C(C)C)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is UDQTUEORWJNQRU-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17(2)21-13-24-23(12-22(21)18-11-25(35-3)26-28-16-29-32(26)14-18)30-27(34)33(24)20-5-4-8-31(15-20)19-6-9-36-10-7-19/h11-14,16-17,19-20H,4-10,15H2,1-3H3,(H,30,34)/t20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 490.61 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 155272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).