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

C18H24N6O2 — CID 125240371

IUPAC(4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23-10-13(8-21-23)11-24-6-2-16-15(12-24)14(3-7-26-16)18(25)22-17-9-19-4-5-20-17/h4-5,8-10,14-16H,2-3,6-7,11-12H2,1H3,(H,20,22,25)/t14-,15-,16-/m0/s1
InChIKeyYTABLIDMGIUYFV-JYJNAYRXSA-N
MW356.43 g/mol
LogP1.08
Rot. Bonds4

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

(4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 125240371) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S,4aR,8aS)-6-[(1-methylpyrazol-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(4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID125240371
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23-10-13(8-21-23)11-24-6-2-16-15(12-24)14(3-7-26-16)18(25)22-17-9-19-4-5-20-17/h4-5,8-10,14-16H,2-3,6-7,11-12H2,1H3,(H,20,22,25)/t14-,15-,16-/m0/s1
InChIKeyYTABLIDMGIUYFV-JYJNAYRXSA-N
XLogP1.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-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)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388715
(4R,4aS,8aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155839195
(4R,4aS,8aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367214
(3aR,6R,7aR)-4-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387370
(3aR,7R,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97387634
(2S,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388601
(3aR,7S,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
CID 97949830
(3aR,6S,7aR)-4-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97950196
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 125238660
(2R,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 125238661
(3aS,6R,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 125240317
(4S,4aS,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 125240374

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,8aS)-6-[(1-methylpyrazol-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 (4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 125240371) is (4S,4aR,8aS)-6-[(1-methylpyrazol-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 (4S,4aR,8aS)-6-[(1-methylpyrazol-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 (4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is Cn1cc(CN2CC[C@@H]3OCC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1.
What is the InChIKey of (4S,4aR,8aS)-6-[(1-methylpyrazol-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 YTABLIDMGIUYFV-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-10-13(8-21-23)11-24-6-2-16-15(12-24)14(3-7-26-16)18(25)22-17-9-19-4-5-20-17/h4-5,8-10,14-16H,2-3,6-7,11-12H2,1H3,(H,20,22,25)/t14-,15-,16-/m0/s1.
What are the key properties of (4S,4aR,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4S,4aR,8aS)-6-[(1-methylpyrazol-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 356.43 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,8aS)-6-[(1-methylpyrazol-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 125240371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).