6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide

C18H16F5N7O2 — CID 166825419

IUPAC6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3cc(C(F)F)ncn3)nc2c1
InChIInChI=1S/C18H16F5N7O2/c19-16(20)12-4-13(27-9-26-12)17(32)25-7-11-8-30-14(29-11)3-10(6-28-30)5-24-15(31)1-2-18(21,22)23/h3-4,6,8-9,16H,1-2,5,7H2,(H,24,31)(H,25,32)
InChIKeyAWTMMAJDXQWBIH-UHFFFAOYSA-N
MW457.36 g/mol
LogP2.35
Rot. Bonds8

About 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 166825419) has the molecular formula C18H16F5N7O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID166825419
Molecular FormulaC18H16F5N7O2
Molecular Weight457.36 g/mol
Exact Mass457.13
IUPAC Name6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3cc(C(F)F)ncn3)nc2c1
InChIInChI=1S/C18H16F5N7O2/c19-16(20)12-4-13(27-9-26-12)17(32)25-7-11-8-30-14(29-11)3-10(6-28-30)5-24-15(31)1-2-18(21,22)23/h3-4,6,8-9,16H,1-2,5,7H2,(H,24,31)(H,25,32)
InChIKeyAWTMMAJDXQWBIH-UHFFFAOYSA-N
XLogP2.35
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide (CID 166825419) is 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide is O=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3cc(C(F)F)ncn3)nc2c1.
What is the InChIKey of 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is AWTMMAJDXQWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N7O2/c19-16(20)12-4-13(27-9-26-12)17(32)25-7-11-8-30-14(29-11)3-10(6-28-30)5-24-15(31)1-2-18(21,22)23/h3-4,6,8-9,16H,1-2,5,7H2,(H,24,31)(H,25,32).
What are the key properties of 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 166825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).