2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide

C19H13F3N6O2 — CID 134551689

IUPAC2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cncnc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)10-30-18-14(8-23-11-24-18)27-17(29)13-6-7-25-28-9-15(26-16(13)28)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,27,29)
InChIKeyNRVJSTPJGPGYAF-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.38
Rot. Bonds5

About 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide

2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551689) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551689
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cncnc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C19H13F3N6O2/c20-19(21,22)10-30-18-14(8-23-11-24-18)27-17(29)13-6-7-25-28-9-15(26-16(13)28)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,27,29)
InChIKeyNRVJSTPJGPGYAF-UHFFFAOYSA-N
XLogP3.38
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551581
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 161118622
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate;ethyl 2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 161371003
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
2,5-dimethyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4974601
3-bromo-2-(2,2,2-trifluoroethoxy)pyridine-4-carbohydrazide
CID 129318987
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
1,3,6-trimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 33373987
1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573002

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551689) is 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cncnc1OCC(F)(F)F)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is NRVJSTPJGPGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c20-19(21,22)10-30-18-14(8-23-11-24-18)27-17(29)13-6-7-25-28-9-15(26-16(13)28)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,27,29).
What are the key properties of 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide?
2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).