N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide

C16H12ClFN6O2 — CID 163220554

IUPACN-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3n2)c2cn[nH]c12
InChIInChI=1S/C16H12ClFN6O2/c1-2-26-16-14(18)13(17)12(8-5-20-22-15(8)16)9-3-4-11-21-10(19-7-25)6-24(11)23-9/h3-7H,2H2,1H3,(H,19,25)(H,20,22)
InChIKeyAWYYZAWALMGLLY-UHFFFAOYSA-N
MW374.76 g/mol
LogP3.03
Rot. Bonds5

About N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide

N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide (PubChem CID 163220554) has the molecular formula C16H12ClFN6O2 and a molecular weight of 374.76 g/mol. Its IUPAC name is N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide
PubChem CID163220554
Molecular FormulaC16H12ClFN6O2
Molecular Weight374.76 g/mol
Exact Mass374.07
IUPAC NameN-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide
SMILESCCOc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3n2)c2cn[nH]c12
InChIInChI=1S/C16H12ClFN6O2/c1-2-26-16-14(18)13(17)12(8-5-20-22-15(8)16)9-3-4-11-21-10(19-7-25)6-24(11)23-9/h3-7H,2H2,1H3,(H,19,25)(H,20,22)
InChIKeyAWYYZAWALMGLLY-UHFFFAOYSA-N
XLogP3.03
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide?
The IUPAC name of N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide (CID 163220554) is N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide.
What is the SMILES notation for N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide?
The canonical SMILES for N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide is CCOc1c(F)c(Cl)c(-c2ccc3nc(NC=O)cn3n2)c2cn[nH]c12.
What is the InChIKey of N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide?
The InChIKey is AWYYZAWALMGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN6O2/c1-2-26-16-14(18)13(17)12(8-5-20-22-15(8)16)9-3-4-11-21-10(19-7-25)6-24(11)23-9/h3-7H,2H2,1H3,(H,19,25)(H,20,22).
What are the key properties of N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide?
N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide has a molecular weight of 374.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]formamide is sourced from PubChem (CID 163220554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).