N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide

C19H21FN4O2 — CID 124780735

IUPACN-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1ccnnc1
InChIInChI=1S/C19H21FN4O2/c20-17-4-2-1-3-14(17)9-24-10-16-15(12-26-18(16)11-24)7-21-19(25)13-5-6-22-23-8-13/h1-6,8,15-16,18H,7,9-12H2,(H,21,25)/t15-,16-,18-/m1/s1
InChIKeyRBWFHCQHJWZWBS-JFIYKMOQSA-N
MW356.40 g/mol
LogP1.49
Rot. Bonds5

About N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide

N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 124780735) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID124780735
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1ccnnc1
InChIInChI=1S/C19H21FN4O2/c20-17-4-2-1-3-14(17)9-24-10-16-15(12-26-18(16)11-24)7-21-19(25)13-5-6-22-23-8-13/h1-6,8,15-16,18H,7,9-12H2,(H,21,25)/t15-,16-,18-/m1/s1
InChIKeyRBWFHCQHJWZWBS-JFIYKMOQSA-N
XLogP1.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide (CID 124780735) is N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1ccnnc1.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is RBWFHCQHJWZWBS-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-17-4-2-1-3-14(17)9-24-10-16-15(12-26-18(16)11-24)7-21-19(25)13-5-6-22-23-8-13/h1-6,8,15-16,18H,7,9-12H2,(H,21,25)/t15-,16-,18-/m1/s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide?
N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-[(2-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 124780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).