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

C17H23N5O2 — CID 97369476

IUPAC(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-8-11(7-18-21)9-22-5-4-13-6-14(23-15(13)10-22)17-20-19-16(24-17)12-2-3-12/h7-8,12-15H,2-6,9-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyVRNHLSMWLMTGTM-RRFJBIMHSA-N
MW329.40 g/mol
LogP2.03
Rot. Bonds4

About (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369476) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369476
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-8-11(7-18-21)9-22-5-4-13-6-14(23-15(13)10-22)17-20-19-16(24-17)12-2-3-12/h7-8,12-15H,2-6,9-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyVRNHLSMWLMTGTM-RRFJBIMHSA-N
XLogP2.03
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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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Related Compounds

(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124790087
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124815526
(2R,3aS,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 134690539
(2S,3aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 125190339
(2R,3aS,7aS)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824850
(2S,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366745
(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97392576
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
[(2R,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylfuran-2-yl)methanone
CID 124893219
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
(2S,3aS,7aS)-N-(furan-2-ylmethyl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840341
(2R,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171695968

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369476) is (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-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](c4nnc(C5CC5)o4)O[C@@H]3C2)cn1.
What is the InChIKey of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is VRNHLSMWLMTGTM-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-8-11(7-18-21)9-22-5-4-13-6-14(23-15(13)10-22)17-20-19-16(24-17)12-2-3-12/h7-8,12-15H,2-6,9-10H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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-(5-cyclopropyl-1,3,4-oxadiazol-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 329.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-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 97369476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).