(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C18H23FN4O3 — CID 131688619

IUPAC(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)C2(F)CC2)C3)cn1
InChIInChI=1S/C18H23FN4O3/c1-12-8-21-13(9-20-12)10-22-15(24)17-5-7-26-14(17)2-6-23(11-17)16(25)18(19)3-4-18/h8-9,14H,2-7,10-11H2,1H3,(H,22,24)/t14-,17-/m1/s1
InChIKeyXNCMFZNHRVCIGT-RHSMWYFYSA-N
MW362.41 g/mol
LogP0.91
Rot. Bonds4

About (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 131688619) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID131688619
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)C2(F)CC2)C3)cn1
InChIInChI=1S/C18H23FN4O3/c1-12-8-21-13(9-20-12)10-22-15(24)17-5-7-26-14(17)2-6-23(11-17)16(25)18(19)3-4-18/h8-9,14H,2-7,10-11H2,1H3,(H,22,24)/t14-,17-/m1/s1
InChIKeyXNCMFZNHRVCIGT-RHSMWYFYSA-N
XLogP0.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 131688619) is (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(C(=O)C2(F)CC2)C3)cn1.
What is the InChIKey of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is XNCMFZNHRVCIGT-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-12-8-21-13(9-20-12)10-22-15(24)17-5-7-26-14(17)2-6-23(11-17)16(25)18(19)3-4-18/h8-9,14H,2-7,10-11H2,1H3,(H,22,24)/t14-,17-/m1/s1.
What are the key properties of (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 131688619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).