N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide

C17H16F3N5O2 — CID 70765114

IUPACN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3cccnn3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H16F3N5O2/c1-10(2)27-11-5-6-12-14(8-11)25(9-17(18,19)20)24-15(12)22-16(26)13-4-3-7-21-23-13/h3-8,10H,9H2,1-2H3,(H,22,24,26)
InChIKeyUYCYFBQXFQTRBR-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.43
Rot. Bonds5

About N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide

N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 70765114) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide
PubChem CID70765114
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3cccnn3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H16F3N5O2/c1-10(2)27-11-5-6-12-14(8-11)25(9-17(18,19)20)24-15(12)22-16(26)13-4-3-7-21-23-13/h3-8,10H,9H2,1-2H3,(H,22,24,26)
InChIKeyUYCYFBQXFQTRBR-UHFFFAOYSA-N
XLogP3.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide (CID 70765114) is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide is CC(C)Oc1ccc2c(NC(=O)c3cccnn3)nn(CC(F)(F)F)c2c1.
What is the InChIKey of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is UYCYFBQXFQTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-10(2)27-11-5-6-12-14(8-11)25(9-17(18,19)20)24-15(12)22-16(26)13-4-3-7-21-23-13/h3-8,10H,9H2,1-2H3,(H,22,24,26).
What are the key properties of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide?
N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 70765114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).