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

C15H20N4O4S — CID 155879695

IUPAC(3aR,6S,7aR)-4-cyclopropylsulfonyl-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(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H20N4O4S/c20-15(18-14-8-16-4-5-17-14)10-7-13-12(3-6-23-13)19(9-10)24(21,22)11-1-2-11/h4-5,8,10-13H,1-3,6-7,9H2,(H,17,18,20)/t10-,12+,13+/m0/s1
InChIKeyIABKBEQVTYNLJV-CYZMBNFOSA-N
MW352.42 g/mol
LogP0.39
Rot. Bonds4

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

(3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 155879695) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID155879695
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name(3aR,6S,7aR)-4-cyclopropylsulfonyl-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(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H20N4O4S/c20-15(18-14-8-16-4-5-17-14)10-7-13-12(3-6-23-13)19(9-10)24(21,22)11-1-2-11/h4-5,8,10-13H,1-3,6-7,9H2,(H,17,18,20)/t10-,12+,13+/m0/s1
InChIKeyIABKBEQVTYNLJV-CYZMBNFOSA-N
XLogP0.39
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,6S,7aR)-4-cyclopropylsulfonyl-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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Related Compounds

(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
(3aS,6R,7aS)-N-pyrazin-2-yl-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124781486
(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
(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
CID 97309238
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
(3aR,6R,7aR)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387379
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380448
(4R,4aR,8aR)-N-pyrazin-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367075
(3aS,6R,7aS)-4-(4-ethylphenyl)sulfonyl-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124914000
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
CID 143235359
(3S,4aS,8aR)-N-pyrazin-2-yl-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124782169

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 155879695) is (3aR,6S,7aR)-4-cyclopropylsulfonyl-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 (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-4-cyclopropylsulfonyl-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(S(=O)(=O)C2CC2)C1.
What is the InChIKey of (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is IABKBEQVTYNLJV-CYZMBNFOSA-N. The full InChI is InChI=1S/C15H20N4O4S/c20-15(18-14-8-16-4-5-17-14)10-7-13-12(3-6-23-13)19(9-10)24(21,22)11-1-2-11/h4-5,8,10-13H,1-3,6-7,9H2,(H,17,18,20)/t10-,12+,13+/m0/s1.
What are the key properties of (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 155879695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).