N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

C16H19N5O3 — CID 167759406

IUPACN-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C16H19N5O3/c1-11(22)19-16-4-6-24-9-12(16)8-20(10-16)15(23)13-7-17-14-3-2-5-18-21(13)14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyQVCAFTDMLYGIOA-BLLLJJGKSA-N
MW329.36 g/mol
LogP0.10
Rot. Bonds2

About N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide

N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (PubChem CID 167759406) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
PubChem CID167759406
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
SMILESCC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C16H19N5O3/c1-11(22)19-16-4-6-24-9-12(16)8-20(10-16)15(23)13-7-17-14-3-2-5-18-21(13)14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyQVCAFTDMLYGIOA-BLLLJJGKSA-N
XLogP0.10
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The IUPAC name of N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide (CID 167759406) is N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide.
What is the SMILES notation for N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The canonical SMILES for N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1cnc3cccnn13)C2.
What is the InChIKey of N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
The InChIKey is QVCAFTDMLYGIOA-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11(22)19-16-4-6-24-9-12(16)8-20(10-16)15(23)13-7-17-14-3-2-5-18-21(13)14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,19,22)/t12-,16+/m0/s1.
What are the key properties of N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide?
N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,7aS)-2-(imidazo[1,2-b]pyridazine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide is sourced from PubChem (CID 167759406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).