[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one

C43H46N10O6 — CID 158066980

IUPAC[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
SMILESC[C@@H]1CC[C@@H](Oc2cc(=O)cc[nH]2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2cc(OC3CC3)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H25N5O3.C20H21N5O3/c1-16-6-7-19(31-22-14-18(10-11-24-22)30-17-8-9-17)15-27(16)23(29)20-4-2-3-5-21(20)28-25-12-13-26-28;1-14-6-7-16(28-19-12-15(26)8-9-21-19)13-24(14)20(27)17-4-2-3-5-18(17)25-22-10-11-23-25/h2-5,10-14,16-17,19H,6-9,15H2,1H3;2-5,8-12,14,16H,6-7,13H2,1H3,(H,21,26)/t16-,19-;14-,16-/m11/s1
InChIKeyFLIRWRJEDICNSX-XVRCHFHOSA-N
MW798.91 g/mol
LogP5.30
Rot. Bonds10

About [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one

[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one (PubChem CID 158066980) has the molecular formula C43H46N10O6 and a molecular weight of 798.91 g/mol. Its IUPAC name is [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one.

Molecular Properties

Compound Name[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
PubChem CID158066980
Molecular FormulaC43H46N10O6
Molecular Weight798.91 g/mol
Exact Mass798.36
IUPAC Name[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
SMILESC[C@@H]1CC[C@@H](Oc2cc(=O)cc[nH]2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2cc(OC3CC3)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H25N5O3.C20H21N5O3/c1-16-6-7-19(31-22-14-18(10-11-24-22)30-17-8-9-17)15-27(16)23(29)20-4-2-3-5-21(20)28-25-12-13-26-28;1-14-6-7-16(28-19-12-15(26)8-9-21-19)13-24(14)20(27)17-4-2-3-5-18(17)25-22-10-11-23-25/h2-5,10-14,16-17,19H,6-9,15H2,1H3;2-5,8-12,14,16H,6-7,13H2,1H3,(H,21,26)/t16-,19-;14-,16-/m11/s1
InChIKeyFLIRWRJEDICNSX-XVRCHFHOSA-N
XLogP5.30
TPSA175.48 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.91
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-[[4-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78324952
[(2R,5R)-5-[[4-(1,1-difluoro-2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281448
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[(2R,5R)-2-methyl-5-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
CID 78324940
[(2R,5R)-5-[[4-(difluoromethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)thiophen-3-yl]methanone
CID 78324973
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053
N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide
CID 118920915
[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121439354
[(2R,5R)-2-methyl-5-thieno[3,2-b]pyridin-7-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212674

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one?
The IUPAC name of [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one (CID 158066980) is [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one.
What is the SMILES notation for [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one?
The canonical SMILES for [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one is C[C@@H]1CC[C@@H](Oc2cc(=O)cc[nH]2)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2cc(OC3CC3)ccn2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one?
The InChIKey is FLIRWRJEDICNSX-XVRCHFHOSA-N. The full InChI is InChI=1S/C23H25N5O3.C20H21N5O3/c1-16-6-7-19(31-22-14-18(10-11-24-22)30-17-8-9-17)15-27(16)23(29)20-4-2-3-5-21(20)28-25-12-13-26-28;1-14-6-7-16(28-19-12-15(26)8-9-21-19)13-24(14)20(27)17-4-2-3-5-18(17)25-22-10-11-23-25/h2-5,10-14,16-17,19H,6-9,15H2,1H3;2-5,8-12,14,16H,6-7,13H2,1H3,(H,21,26)/t16-,19-;14-,16-/m11/s1.
What are the key properties of [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one?
[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one has a molecular weight of 798.91 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one is sourced from PubChem (CID 158066980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).