3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

C16H11ClF2N4O — CID 118875388

IUPAC3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C16H11ClF2N4O/c17-13-10(18)6-8(7-11(13)19)15-14(16(24)21-9-3-4-9)22-12-2-1-5-20-23(12)15/h1-2,5-7,9H,3-4H2,(H,21,24)
InChIKeyGYZISZRYVGZYRR-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide

3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 118875388) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID118875388
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnn2c1-c1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C16H11ClF2N4O/c17-13-10(18)6-8(7-11(13)19)15-14(16(24)21-9-3-4-9)22-12-2-1-5-20-23(12)15/h1-2,5-7,9H,3-4H2,(H,21,24)
InChIKeyGYZISZRYVGZYRR-UHFFFAOYSA-N
XLogP3.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (CID 118875388) is 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is O=C(NC1CC1)c1nc2cccnn2c1-c1cc(F)c(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is GYZISZRYVGZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c17-13-10(18)6-8(7-11(13)19)15-14(16(24)21-9-3-4-9)22-12-2-1-5-20-23(12)15/h1-2,5-7,9H,3-4H2,(H,21,24).
What are the key properties of 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide?
3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 348.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 118875388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).