3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C19H16F3N9O2 — CID 146381591

IUPAC3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1
InChIInChI=1S/C19H16F3N9O2/c1-11(19(20,21)22)30-10-24-28-16(30)13-5-3-6-14(25-13)26-17(32)12-9-31(29-18(12)33-2)15-7-4-8-23-27-15/h3-11H,1-2H3,(H,25,26,32)
InChIKeyMOLIHTQGCBSUGT-UHFFFAOYSA-N
MW459.39 g/mol
LogP2.70
Rot. Bonds6

About 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381591) has the molecular formula C19H16F3N9O2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381591
Molecular FormulaC19H16F3N9O2
Molecular Weight459.39 g/mol
Exact Mass459.14
IUPAC Name3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1
InChIInChI=1S/C19H16F3N9O2/c1-11(19(20,21)22)30-10-24-28-16(30)13-5-3-6-14(25-13)26-17(32)12-9-31(29-18(12)33-2)15-7-4-8-23-27-15/h3-11H,1-2H3,(H,25,26,32)
InChIKeyMOLIHTQGCBSUGT-UHFFFAOYSA-N
XLogP2.70
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381591) is 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1.
What is the InChIKey of 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is MOLIHTQGCBSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N9O2/c1-11(19(20,21)22)30-10-24-28-16(30)13-5-3-6-14(25-13)26-17(32)12-9-31(29-18(12)33-2)15-7-4-8-23-27-15/h3-11H,1-2H3,(H,25,26,32).
What are the key properties of 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pyridazin-3-yl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).