(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

C17H21N5O2S — CID 97367075

IUPAC(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
SMILESO=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21
InChIInChI=1S/C17H21N5O2S/c23-17(21-15-9-18-3-4-19-15)12-2-7-24-14-1-6-22(10-13(12)14)11-16-20-5-8-25-16/h3-5,8-9,12-14H,1-2,6-7,10-11H2,(H,19,21,23)/t12-,13+,14-/m1/s1
InChIKeyMLROSNFXGCHFDL-HZSPNIEDSA-N
MW359.46 g/mol
LogP1.80
Rot. Bonds4

About (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

(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 (PubChem CID 97367075) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97367075
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(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
SMILESO=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21
InChIInChI=1S/C17H21N5O2S/c23-17(21-15-9-18-3-4-19-15)12-2-7-24-14-1-6-22(10-13(12)14)11-16-20-5-8-25-16/h3-5,8-9,12-14H,1-2,6-7,10-11H2,(H,19,21,23)/t12-,13+,14-/m1/s1
InChIKeyMLROSNFXGCHFDL-HZSPNIEDSA-N
XLogP1.80
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380950
(4R,4aR,8aR)-6-[(3-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 155870898
(3aR,4S,7aR)-N-(furan-2-ylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124783202
(4R,4aR,8aR)-6-ethyl-N-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 134690561
(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
N-[[(1S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]cyclopropanecarboxamide
CID 131697543
(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
(5aR,9aS)-4-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403395
(4R,4aS,8aR)-N-(2-methoxyethyl)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367145
(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
N-[[(3S,3aR,7aR)-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 171673262
(4R,4aR,8aR)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 131687927

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3nccs3)C[C@H]21.
What is the InChIKey of (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?
The InChIKey is MLROSNFXGCHFDL-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-17(21-15-9-18-3-4-19-15)12-2-7-24-14-1-6-22(10-13(12)14)11-16-20-5-8-25-16/h3-5,8-9,12-14H,1-2,6-7,10-11H2,(H,19,21,23)/t12-,13+,14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97367075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).