3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

C17H21N7O3 — CID 146381344

IUPAC3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCOC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1
InChIInChI=1S/C17H21N7O3/c1-11(9-26-3)24-10-18-21-15(24)13-6-5-7-14(19-13)20-16(25)12-8-23(2)22-17(12)27-4/h5-8,10-11H,9H2,1-4H3,(H,19,20,25)/t11-/m1/s1
InChIKeyATCOLITULJJMES-LLVKDONJSA-N
MW371.40 g/mol
LogP1.54
Rot. Bonds7

About 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 146381344) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
PubChem CID146381344
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCOC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1
InChIInChI=1S/C17H21N7O3/c1-11(9-26-3)24-10-18-21-15(24)13-6-5-7-14(19-13)20-16(25)12-8-23(2)22-17(12)27-4/h5-8,10-11H,9H2,1-4H3,(H,19,20,25)/t11-/m1/s1
InChIKeyATCOLITULJJMES-LLVKDONJSA-N
XLogP1.54
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 146381344) is 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is COC[C@@H](C)n1cnnc1-c1cccc(NC(=O)c2cn(C)nc2OC)n1.
What is the InChIKey of 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ATCOLITULJJMES-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-11(9-26-3)24-10-18-21-15(24)13-6-5-7-14(19-13)20-16(25)12-8-23(2)22-17(12)27-4/h5-8,10-11H,9H2,1-4H3,(H,19,20,25)/t11-/m1/s1.
What are the key properties of 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146381344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).