2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

C17H28N4O2 — CID 131685568

IUPAC2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC(C)C)C2)n[nH]1
InChIInChI=1S/C17H28N4O2/c1-11(2)18-17(22)7-16-15-4-5-21(8-13(15)10-23-16)9-14-6-12(3)19-20-14/h6,11,13,15-16H,4-5,7-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,15-,16+/m1/s1
InChIKeyFCGLUCMNQWGQTK-BMFZPTHFSA-N
MW320.44 g/mol
LogP1.47
Rot. Bonds5

About 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide

2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (PubChem CID 131685568) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
PubChem CID131685568
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC(C)C)C2)n[nH]1
InChIInChI=1S/C17H28N4O2/c1-11(2)18-17(22)7-16-15-4-5-21(8-13(15)10-23-16)9-14-6-12(3)19-20-14/h6,11,13,15-16H,4-5,7-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,15-,16+/m1/s1
InChIKeyFCGLUCMNQWGQTK-BMFZPTHFSA-N
XLogP1.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide (CID 131685568) is 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is Cc1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC(C)C)C2)n[nH]1.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FCGLUCMNQWGQTK-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11(2)18-17(22)7-16-15-4-5-21(8-13(15)10-23-16)9-14-6-12(3)19-20-14/h6,11,13,15-16H,4-5,7-10H2,1-3H3,(H,18,22)(H,19,20)/t13-,15-,16+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide?
2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).