3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C17H19N7O3 — CID 146381583

IUPAC3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1
InChIInChI=1S/C17H19N7O3/c1-23-8-12(17(22-23)26-2)16(25)20-14-5-3-4-13(19-14)15-21-18-10-24(15)11-6-7-27-9-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,19,20,25)/t11-/m1/s1
InChIKeySCYJLANTBOIPFX-LLVKDONJSA-N
MW369.39 g/mol
LogP1.30
Rot. Bonds5

About 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381583) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381583
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1
InChIInChI=1S/C17H19N7O3/c1-23-8-12(17(22-23)26-2)16(25)20-14-5-3-4-13(19-14)15-21-18-10-24(15)11-6-7-27-9-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,19,20,25)/t11-/m1/s1
InChIKeySCYJLANTBOIPFX-LLVKDONJSA-N
XLogP1.30
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381583) is 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is SCYJLANTBOIPFX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-23-8-12(17(22-23)26-2)16(25)20-14-5-3-4-13(19-14)15-21-18-10-24(15)11-6-7-27-9-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,19,20,25)/t11-/m1/s1.
What are the key properties of 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).