(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C18H24N4OS — CID 97369507

IUPAC(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCn1cc(CN2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1
InChIInChI=1S/C18H24N4OS/c1-21-8-12(7-19-21)9-22-5-4-14-6-16(23-17(14)10-22)18-20-15(11-24-18)13-2-3-13/h7-8,11,13-14,16-17H,2-6,9-10H2,1H3/t14-,16+,17+/m0/s1
InChIKeyLPGPBLHAGRQEJI-USXIJHARSA-N
MW344.48 g/mol
LogP3.11
Rot. Bonds4

About (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369507) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369507
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCn1cc(CN2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1
InChIInChI=1S/C18H24N4OS/c1-21-8-12(7-19-21)9-22-5-4-14-6-16(23-17(14)10-22)18-20-15(11-24-18)13-2-3-13/h7-8,11,13-14,16-17H,2-6,9-10H2,1H3/t14-,16+,17+/m0/s1
InChIKeyLPGPBLHAGRQEJI-USXIJHARSA-N
XLogP3.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369507) is (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cn1cc(CN2CC[C@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cn1.
What is the InChIKey of (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is LPGPBLHAGRQEJI-USXIJHARSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-21-8-12(7-19-21)9-22-5-4-14-6-16(23-17(14)10-22)18-20-15(11-24-18)13-2-3-13/h7-8,11,13-14,16-17H,2-6,9-10H2,1H3/t14-,16+,17+/m0/s1.
What are the key properties of (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 344.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97369507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).