(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

C16H20N6O2 — CID 97486069

IUPAC(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
SMILESCn1cc(CN2C[C@@H]3[C@@H](C(=O)Nc4cnccn4)CO[C@@H]3C2)cn1
InChIInChI=1S/C16H20N6O2/c1-21-6-11(4-19-21)7-22-8-12-13(10-24-14(12)9-22)16(23)20-15-5-17-2-3-18-15/h2-6,12-14H,7-10H2,1H3,(H,18,20,23)/t12-,13+,14-/m1/s1
InChIKeyWPWAXNZGEWBAFL-HZSPNIEDSA-N
MW328.38 g/mol
LogP0.30
Rot. Bonds4

About (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

(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 (PubChem CID 97486069) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97486069
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(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
SMILESCn1cc(CN2C[C@@H]3[C@@H](C(=O)Nc4cnccn4)CO[C@@H]3C2)cn1
InChIInChI=1S/C16H20N6O2/c1-21-6-11(4-19-21)7-22-8-12-13(10-24-14(12)9-22)16(23)20-15-5-17-2-3-18-15/h2-6,12-14H,7-10H2,1H3,(H,18,20,23)/t12-,13+,14-/m1/s1
InChIKeyWPWAXNZGEWBAFL-HZSPNIEDSA-N
XLogP0.30
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128978857
(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 128980532
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 137857915
(2R,3R)-2-(1-methylimidazol-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide
CID 137867826
(2R,3R)-N-(1-ethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154737462

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1cc(CN2C[C@@H]3[C@@H](C(=O)Nc4cnccn4)CO[C@@H]3C2)cn1.
What is the InChIKey of (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?
The InChIKey is WPWAXNZGEWBAFL-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-6-11(4-19-21)7-22-8-12-13(10-24-14(12)9-22)16(23)20-15-5-17-2-3-18-15/h2-6,12-14H,7-10H2,1H3,(H,18,20,23)/t12-,13+,14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 328.38 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97486069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).