N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C16H12FN7O2 — CID 70827941

IUPACN-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccon2)c2ncc(C(=O)Nc3ccncc3F)n2n1
InChIInChI=1S/C16H12FN7O2/c1-9-6-12(20-14-3-5-26-23-14)15-19-8-13(24(15)22-9)16(25)21-11-2-4-18-7-10(11)17/h2-8H,1H3,(H,20,23)(H,18,21,25)
InChIKeyCADALDQBBDOVBB-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.56
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 70827941) has the molecular formula C16H12FN7O2 and a molecular weight of 353.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID70827941
Molecular FormulaC16H12FN7O2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC NameN-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccon2)c2ncc(C(=O)Nc3ccncc3F)n2n1
InChIInChI=1S/C16H12FN7O2/c1-9-6-12(20-14-3-5-26-23-14)15-19-8-13(24(15)22-9)16(25)21-11-2-4-18-7-10(11)17/h2-8H,1H3,(H,20,23)(H,18,21,25)
InChIKeyCADALDQBBDOVBB-UHFFFAOYSA-N
XLogP2.56
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 70827941) is N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(Nc2ccon2)c2ncc(C(=O)Nc3ccncc3F)n2n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CADALDQBBDOVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7O2/c1-9-6-12(20-14-3-5-26-23-14)15-19-8-13(24(15)22-9)16(25)21-11-2-4-18-7-10(11)17/h2-8H,1H3,(H,20,23)(H,18,21,25).
What are the key properties of N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-6-methyl-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 70827941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).