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

C17H20N6O2 — CID 97460029

IUPACN-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CCN(c3ncccn3)C[C@@H]21)c1ccnnc1
InChIInChI=1S/C17H20N6O2/c24-16(12-2-6-21-22-8-12)20-9-15-14-10-23(7-3-13(14)11-25-15)17-18-4-1-5-19-17/h1-2,4-6,8,13-15H,3,7,9-11H2,(H,20,24)/t13-,14-,15+/m0/s1
InChIKeyVURCUAAAWIAWFM-SOUVJXGZSA-N
MW340.39 g/mol
LogP0.54
Rot. Bonds4

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

N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 97460029) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID97460029
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H]2CCN(c3ncccn3)C[C@@H]21)c1ccnnc1
InChIInChI=1S/C17H20N6O2/c24-16(12-2-6-21-22-8-12)20-9-15-14-10-23(7-3-13(14)11-25-15)17-18-4-1-5-19-17/h1-2,4-6,8,13-15H,3,7,9-11H2,(H,20,24)/t13-,14-,15+/m0/s1
InChIKeyVURCUAAAWIAWFM-SOUVJXGZSA-N
XLogP0.54
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide (CID 97460029) is N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@H]1OC[C@@H]2CCN(c3ncccn3)C[C@@H]21)c1ccnnc1.
What is the InChIKey of N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is VURCUAAAWIAWFM-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16(12-2-6-21-22-8-12)20-9-15-14-10-23(7-3-13(14)11-25-15)17-18-4-1-5-19-17/h1-2,4-6,8,13-15H,3,7,9-11H2,(H,20,24)/t13-,14-,15+/m0/s1.
What are the key properties of N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide?
N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97460029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).