(3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

C22H23F6N5O6 — CID 155827427

About (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

(3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155827427) has the molecular formula C22H23F6N5O6 and a molecular weight of 567.44 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155827427
• Molecular Formula: C22H23F6N5O6
• Molecular Weight: 567.44 g/mol
• Exact Mass: 567.16
• IUPAC Name: (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H21N5O2.2C2HF3O2/c24-18(22-17-10-19-6-7-21-17)13-9-16-15(4-8-25-16)23(11-13)12-14-3-1-2-5-20-14;2*3-2(4,5)1(6)7/h1-3,5-7,10,13,15-16H,4,8-9,11-12H2,(H,21,22,24);2*(H,6,7)/t13-,15+,16+;;/m0../s1
• InChIKey: YDLFQPMDQUHTID-IZQURSCRSA-N
• XLogP: 2.76
• TPSA: 154.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155827427) is (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(Nc1cnccn1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccccn2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is YDLFQPMDQUHTID-IZQURSCRSA-N. The full InChI is InChI=1S/C18H21N5O2.2C2HF3O2/c24-18(22-17-10-19-6-7-21-17)13-9-16-15(4-8-25-16)23(11-13)12-14-3-1-2-5-20-14;2*3-2(4,5)1(6)7/h1-3,5-7,10,13,15-16H,4,8-9,11-12H2,(H,21,22,24);2*(H,6,7)/t13-,15+,16+;;/m0../s1.

What are the key properties of (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

(3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 567.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6S,7aR)-N-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155827427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).