(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C16H17FN6O2 — CID 133142468

IUPAC(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncc(F)cn2)C1
InChIInChI=1S/C16H17FN6O2/c17-11-6-20-16(21-7-11)23-9-10(5-13-12(23)1-4-25-13)15(24)22-14-8-18-2-3-19-14/h2-3,6-8,10,12-13H,1,4-5,9H2,(H,19,22,24)/t10-,12-,13-/m0/s1
InChIKeyURNVANPMJPJFLS-DRZSPHRISA-N
MW344.35 g/mol
LogP1.03
Rot. Bonds3

About (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 133142468) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID133142468
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cnccn1)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncc(F)cn2)C1
InChIInChI=1S/C16H17FN6O2/c17-11-6-20-16(21-7-11)23-9-10(5-13-12(23)1-4-25-13)15(24)22-14-8-18-2-3-19-14/h2-3,6-8,10,12-13H,1,4-5,9H2,(H,19,22,24)/t10-,12-,13-/m0/s1
InChIKeyURNVANPMJPJFLS-DRZSPHRISA-N
XLogP1.03
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 133142468) is (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(Nc1cnccn1)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncc(F)cn2)C1.
What is the InChIKey of (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is URNVANPMJPJFLS-DRZSPHRISA-N. The full InChI is InChI=1S/C16H17FN6O2/c17-11-6-20-16(21-7-11)23-9-10(5-13-12(23)1-4-25-13)15(24)22-14-8-18-2-3-19-14/h2-3,6-8,10,12-13H,1,4-5,9H2,(H,19,22,24)/t10-,12-,13-/m0/s1.
What are the key properties of (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 133142468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).