(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C19H23N5O2 — CID 97383391

IUPAC(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)o1
InChIInChI=1S/C19H23N5O2/c1-14-3-4-17(26-14)10-24-9-16(19-18(11-24)21-22-23(19)2)13-25-12-15-5-7-20-8-6-15/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1
InChIKeyHESYQSLDROOTLD-MRXNPFEDSA-N
MW353.43 g/mol
LogP2.43
Rot. Bonds6

About (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97383391) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97383391
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)o1
InChIInChI=1S/C19H23N5O2/c1-14-3-4-17(26-14)10-24-9-16(19-18(11-24)21-22-23(19)2)13-25-12-15-5-7-20-8-6-15/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1
InChIKeyHESYQSLDROOTLD-MRXNPFEDSA-N
XLogP2.43
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97383391) is (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCc3ccncc3)C2)o1.
What is the InChIKey of (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is HESYQSLDROOTLD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-3-4-17(26-14)10-24-9-16(19-18(11-24)21-22-23(19)2)13-25-12-15-5-7-20-8-6-15/h3-8,16H,9-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 353.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97383391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).