(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

C17H18N4O2S — CID 26745357

IUPAC(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1Cc2nc[nH]c2CN1Cc1cccs1
InChIInChI=1S/C17H18N4O2S/c22-17(18-8-12-3-1-5-23-12)16-7-14-15(20-11-19-14)10-21(16)9-13-4-2-6-24-13/h1-6,11,16H,7-10H2,(H,18,22)(H,19,20)/t16-/m0/s1
InChIKeyAUSCEBGHMBKJPD-INIZCTEOSA-N
MW342.42 g/mol
LogP2.31
Rot. Bonds5

About (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide

(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 26745357) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID26745357
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1Cc2nc[nH]c2CN1Cc1cccs1
InChIInChI=1S/C17H18N4O2S/c22-17(18-8-12-3-1-5-23-12)16-7-14-15(20-11-19-14)10-21(16)9-13-4-2-6-24-13/h1-6,11,16H,7-10H2,(H,18,22)(H,19,20)/t16-/m0/s1
InChIKeyAUSCEBGHMBKJPD-INIZCTEOSA-N
XLogP2.31
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide (CID 26745357) is (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is O=C(NCc1ccco1)[C@@H]1Cc2nc[nH]c2CN1Cc1cccs1.
What is the InChIKey of (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is AUSCEBGHMBKJPD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-17(18-8-12-3-1-5-23-12)16-7-14-15(20-11-19-14)10-21(16)9-13-4-2-6-24-13/h1-6,11,16H,7-10H2,(H,18,22)(H,19,20)/t16-/m0/s1.
What are the key properties of (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide?
(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 26745357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).