N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide

C16H19F3N6O — CID 128998420

IUPACN-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C16H19F3N6O/c1-2-20-15(26)11-4-5-13(24-23-11)21-7-10-3-6-14-22-12(16(17,18)19)9-25(14)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,20,26)(H,21,24)
InChIKeyPNOOCSLFNOARDV-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide

N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide (PubChem CID 128998420) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
PubChem CID128998420
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC NameN-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCC2CCc3nc(C(F)(F)F)cn3C2)nn1
InChIInChI=1S/C16H19F3N6O/c1-2-20-15(26)11-4-5-13(24-23-11)21-7-10-3-6-14-22-12(16(17,18)19)9-25(14)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,20,26)(H,21,24)
InChIKeyPNOOCSLFNOARDV-UHFFFAOYSA-N
XLogP2.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide (CID 128998420) is N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide is CCNC(=O)c1ccc(NCC2CCc3nc(C(F)(F)F)cn3C2)nn1.
What is the InChIKey of N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide?
The InChIKey is PNOOCSLFNOARDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-2-20-15(26)11-4-5-13(24-23-11)21-7-10-3-6-14-22-12(16(17,18)19)9-25(14)8-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,20,26)(H,21,24).
What are the key properties of N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide?
N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 128998420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).