(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

C17H22N6O2 — CID 97388601

IUPAC(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
SMILESCn1cc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-9-12(7-20-22)10-23-5-2-13-6-14(25-15(13)11-23)17(24)21-16-8-18-3-4-19-16/h3-4,7-9,13-15H,2,5-6,10-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m0/s1
InChIKeyGOJUNPZKYUCNCP-SOUVJXGZSA-N
MW342.40 g/mol
LogP0.83
Rot. Bonds4

About (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

(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 (PubChem CID 97388601) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97388601
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(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
SMILESCn1cc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-9-12(7-20-22)10-23-5-2-13-6-14(25-15(13)11-23)17(24)21-16-8-18-3-4-19-16/h3-4,7-9,13-15H,2,5-6,10-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m0/s1
InChIKeyGOJUNPZKYUCNCP-SOUVJXGZSA-N
XLogP0.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(3aR,5S,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387748
(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
Oxolan-2-yl-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
CID 72020077
[(2S)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
CID 95242999
[(2R)-oxolan-2-yl]-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methanone
CID 95243000
(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
(3R,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-N-pyrazin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486069
(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
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1-(tetrahydrofuran-2-ylcarbonyl)piperidine-4-carboxamide
CID 118785551

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1cc(CN2CC[C@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@@H]3C2)cn1.
What is the InChIKey of (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?
The InChIKey is GOJUNPZKYUCNCP-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-9-12(7-20-22)10-23-5-2-13-6-14(25-15(13)11-23)17(24)21-16-8-18-3-4-19-16/h3-4,7-9,13-15H,2,5-6,10-11H2,1H3,(H,19,21,24)/t13-,14-,15+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 342.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97388601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).