N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide

C16H12F3N5O — CID 118875412

IUPACN-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)11-8-9(5-7-20-11)14-13(15(25)22-10-3-4-10)23-12-2-1-6-21-24(12)14/h1-2,5-8,10H,3-4H2,(H,22,25)
InChIKeyQJYXPHGWTACNMO-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.70
Rot. Bonds3

About N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide

N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118875412) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118875412
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)11-8-9(5-7-20-11)14-13(15(25)22-10-3-4-10)23-12-2-1-6-21-24(12)14/h1-2,5-8,10H,3-4H2,(H,22,25)
InChIKeyQJYXPHGWTACNMO-UHFFFAOYSA-N
XLogP2.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 118875412) is N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide is O=C(NC1CC1)c1nc2cccnn2c1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is QJYXPHGWTACNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)11-8-9(5-7-20-11)14-13(15(25)22-10-3-4-10)23-12-2-1-6-21-24(12)14/h1-2,5-8,10H,3-4H2,(H,22,25).
What are the key properties of N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide?
N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118875412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).