N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C23H28N6O2 — CID 26792305

IUPACN-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H]1CCCCN1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)o1
InChIInChI=1S/C23H28N6O2/c1-3-17-7-4-5-11-28(17)15-19-10-9-18(31-19)14-24-21-13-16(2)25-23-26-22(27-29(21)23)20-8-6-12-30-20/h6,8-10,12-13,17,24H,3-5,7,11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyMVVWSZIXMPCJFP-KRWDZBQOSA-N
MW420.52 g/mol
LogP4.66
Rot. Bonds7

About N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 26792305) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID26792305
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@H]1CCCCN1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)o1
InChIInChI=1S/C23H28N6O2/c1-3-17-7-4-5-11-28(17)15-19-10-9-18(31-19)14-24-21-13-16(2)25-23-26-22(27-29(21)23)20-8-6-12-30-20/h6,8-10,12-13,17,24H,3-5,7,11,14-15H2,1-2H3/t17-/m0/s1
InChIKeyMVVWSZIXMPCJFP-KRWDZBQOSA-N
XLogP4.66
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 26792305) is N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC[C@H]1CCCCN1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)o1.
What is the InChIKey of N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MVVWSZIXMPCJFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-3-17-7-4-5-11-28(17)15-19-10-9-18(31-19)14-24-21-13-16(2)25-23-26-22(27-29(21)23)20-8-6-12-30-20/h6,8-10,12-13,17,24H,3-5,7,11,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 420.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(2S)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 26792305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).