3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C20H20N8O2 — CID 146381565

IUPAC3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29)
InChIKeyBLKPAPOAEPCQQA-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.76
Rot. Bonds6

About 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide

3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 146381565) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID146381565
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29)
InChIKeyBLKPAPOAEPCQQA-UHFFFAOYSA-N
XLogP2.76
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

CID 146027049
CID 146027049
CID 153384514
CID 153384514
CID 146381559
CID 146381559
CID 146381268
CID 146381268
CID 146381271
CID 146381271
CID 146381276
CID 146381276
CID 146381283
CID 146381283
CID 146381286
CID 146381286
CID 146381295
CID 146381295
CID 146381322
CID 146381322
CID 146381344
CID 146381344
CID 146381346
CID 146381346

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 146381565) is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide is COc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is BLKPAPOAEPCQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)15-7-6-8-16(23-15)24-19(29)14-11-28(26-20(14)30-3)17-9-4-5-10-21-17/h4-13H,1-3H3,(H,23,24,29).
What are the key properties of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.76, 6 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-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 146381565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).