propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate

C19H26N4O5 — CID 163282756

IUPACpropan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate
SMILESCc1nc(-c2nnn(C)c2CO)ccc1O[C@@H]1CCO[C@@H](C(=O)OC(C)C)C1
InChIInChI=1S/C19H26N4O5/c1-11(2)27-19(25)17-9-13(7-8-26-17)28-16-6-5-14(20-12(16)3)18-15(10-24)23(4)22-21-18/h5-6,11,13,17,24H,7-10H2,1-4H3/t13-,17-/m1/s1
InChIKeyHRMZJNZGQQFTSX-CXAGYDPISA-N
MW390.44 g/mol
LogP1.56
Rot. Bonds6

About propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate

propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate (PubChem CID 163282756) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate
PubChem CID163282756
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Namepropan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate
SMILESCc1nc(-c2nnn(C)c2CO)ccc1O[C@@H]1CCO[C@@H](C(=O)OC(C)C)C1
InChIInChI=1S/C19H26N4O5/c1-11(2)27-19(25)17-9-13(7-8-26-17)28-16-6-5-14(20-12(16)3)18-15(10-24)23(4)22-21-18/h5-6,11,13,17,24H,7-10H2,1-4H3/t13-,17-/m1/s1
InChIKeyHRMZJNZGQQFTSX-CXAGYDPISA-N
XLogP1.56
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

trans-propan-2-yl (1S,3S)-3-[[2-methyl-6-[1-methyl-5-[(methylideneamino)methyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163541845
[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol
CID 167554634
propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
trans-propan-2-yl (1R,3S)-1-fluoro-3-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 138719338
trans-(1S,3S)-3-[[6-[5-(bromomethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138684979
3-[[6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138684876
trans-methyl (1S,3S)-3-[[6-[5-(2-aminoethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 138719628
propan-2-yl 2-[(1S)-3-[[2-methyl-6-[1-methyl-5-[(1-propylcyclopropyl)carbamoyloxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclopentyl]acetate
CID 163929131
propan-2-yl 2-[(1S,3S)-3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopentyl]acetate
CID 156900170
trans-propan-2-yl (1S,2S)-2-[[6-[5-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopropane-1-carboxylate
CID 175970281
trans-(1S,3S)-3-[[6-[5-[2-(cyclopropylmethoxy)-2-oxoethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 158580379
trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[(1-phenylethoxycarbonylamino)methyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146574449

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate?
The IUPAC name of propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate (CID 163282756) is propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate?
The canonical SMILES for propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate is Cc1nc(-c2nnn(C)c2CO)ccc1O[C@@H]1CCO[C@@H](C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate?
The InChIKey is HRMZJNZGQQFTSX-CXAGYDPISA-N. The full InChI is InChI=1S/C19H26N4O5/c1-11(2)27-19(25)17-9-13(7-8-26-17)28-16-6-5-14(20-12(16)3)18-15(10-24)23(4)22-21-18/h5-6,11,13,17,24H,7-10H2,1-4H3/t13-,17-/m1/s1.
What are the key properties of propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate?
propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate is sourced from PubChem (CID 163282756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).