3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide

C21H21N9O2 — CID 164899747

IUPAC3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nnc(C)n2C2(C)CC2)n1
InChIInChI=1S/C21H21N9O2/c1-13-26-27-18(30(13)21(2)7-8-21)15-5-4-6-16(24-15)25-19(31)14-12-29(28-20(14)32-3)17-11-22-9-10-23-17/h4-6,9-12H,7-8H2,1-3H3,(H,24,25,31)
InChIKeyNAIOULILNMANAW-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.39
Rot. Bonds6

About 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide

3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide (PubChem CID 164899747) has the molecular formula C21H21N9O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide
PubChem CID164899747
Molecular FormulaC21H21N9O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide
SMILESCOc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nnc(C)n2C2(C)CC2)n1
InChIInChI=1S/C21H21N9O2/c1-13-26-27-18(30(13)21(2)7-8-21)15-5-4-6-16(24-15)25-19(31)14-12-29(28-20(14)32-3)17-11-22-9-10-23-17/h4-6,9-12H,7-8H2,1-3H3,(H,24,25,31)
InChIKeyNAIOULILNMANAW-UHFFFAOYSA-N
XLogP2.39
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide (CID 164899747) is 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide is COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nnc(C)n2C2(C)CC2)n1.
What is the InChIKey of 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide?
The InChIKey is NAIOULILNMANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2/c1-13-26-27-18(30(13)21(2)7-8-21)15-5-4-6-16(24-15)25-19(31)14-12-29(28-20(14)32-3)17-11-22-9-10-23-17/h4-6,9-12H,7-8H2,1-3H3,(H,24,25,31).
What are the key properties of 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide?
3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164899747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).