(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

C19H26N6O2 — CID 155876699

IUPAC(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCCn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1
InChIInChI=1S/C19H26N6O2/c1-2-25-12-14(9-22-25)11-24-7-3-17-16(13-24)15(4-8-27-17)19(26)23-18-10-20-5-6-21-18/h5-6,9-10,12,15-17H,2-4,7-8,11,13H2,1H3,(H,21,23,26)/t15-,16-,17-/m1/s1
InChIKeyOTLZVWOMHNHBQO-BRWVUGGUSA-N
MW370.46 g/mol
LogP1.56
Rot. Bonds5

About (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 155876699) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID155876699
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCCn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1
InChIInChI=1S/C19H26N6O2/c1-2-25-12-14(9-22-25)11-24-7-3-17-16(13-24)15(4-8-27-17)19(26)23-18-10-20-5-6-21-18/h5-6,9-10,12,15-17H,2-4,7-8,11,13H2,1H3,(H,21,23,26)/t15-,16-,17-/m1/s1
InChIKeyOTLZVWOMHNHBQO-BRWVUGGUSA-N
XLogP1.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 155876699) is (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is CCn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1.
What is the InChIKey of (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is OTLZVWOMHNHBQO-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-25-12-14(9-22-25)11-24-7-3-17-16(13-24)15(4-8-27-17)19(26)23-18-10-20-5-6-21-18/h5-6,9-10,12,15-17H,2-4,7-8,11,13H2,1H3,(H,21,23,26)/t15-,16-,17-/m1/s1.
What are the key properties of (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,8aR)-6-[(1-ethylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 155876699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).