N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C20H20F3N5O3 — CID 154655150

IUPACN-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCOc1cc2nc(C3C4COCC43)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C20H20F3N5O3/c1-2-31-16-5-17-24-15(18-11-8-30-9-12(11)18)7-27(17)6-14(16)25-19(29)13-3-4-28(26-13)10-20(21,22)23/h3-7,11-12,18H,2,8-10H2,1H3,(H,25,29)
InChIKeyHLUKFXLVFYHOMS-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.10
Rot. Bonds6

About N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 154655150) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID154655150
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC NameN-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCCOc1cc2nc(C3C4COCC43)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C20H20F3N5O3/c1-2-31-16-5-17-24-15(18-11-8-30-9-12(11)18)7-27(17)6-14(16)25-19(29)13-3-4-28(26-13)10-20(21,22)23/h3-7,11-12,18H,2,8-10H2,1H3,(H,25,29)
InChIKeyHLUKFXLVFYHOMS-UHFFFAOYSA-N
XLogP3.10
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 154655150) is N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CCOc1cc2nc(C3C4COCC43)cn2cc1NC(=O)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is HLUKFXLVFYHOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-2-31-16-5-17-24-15(18-11-8-30-9-12(11)18)7-27(17)6-14(16)25-19(29)13-3-4-28(26-13)10-20(21,22)23/h3-7,11-12,18H,2,8-10H2,1H3,(H,25,29).
What are the key properties of N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 154655150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).