(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C18H25N5O2 — CID 97477267

IUPAC(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCOc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C18H25N5O2/c1-12-20-17(22-21-12)8-16-15-5-7-23(10-14(15)11-25-16)9-13-4-3-6-19-18(13)24-2/h3-4,6,14-16H,5,7-11H2,1-2H3,(H,20,21,22)/t14-,15-,16+/m1/s1
InChIKeyWFTAGMIIKPHIJU-OAGGEKHMSA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds5

About (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 97477267) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID97477267
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCOc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1
InChIInChI=1S/C18H25N5O2/c1-12-20-17(22-21-12)8-16-15-5-7-23(10-14(15)11-25-16)9-13-4-3-6-19-18(13)24-2/h3-4,6,14-16H,5,7-11H2,1-2H3,(H,20,21,22)/t14-,15-,16+/m1/s1
InChIKeyWFTAGMIIKPHIJU-OAGGEKHMSA-N
XLogP1.60
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(1S,3aR,7aR)-5-(furan-2-ylmethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 155843127
1-[(1S,3aS,7aS)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-phenylethanone
CID 124813156
[(1R,3aR,7aR)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97482477
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

Frequently Asked Questions

What is the IUPAC name of (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 97477267) is (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is COc1ncccc1CN1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1.
What is the InChIKey of (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is WFTAGMIIKPHIJU-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-20-17(22-21-12)8-16-15-5-7-23(10-14(15)11-25-16)9-13-4-3-6-19-18(13)24-2/h3-4,6,14-16H,5,7-11H2,1-2H3,(H,20,21,22)/t14-,15-,16+/m1/s1.
What are the key properties of (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
(1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,7aR)-5-[(2-methoxy-3-pyridinyl)methyl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 97477267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).