(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

C19H27N5O2 — CID 72889339

IUPAC(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCc1nnc2n1C(C)CN(C(=O)c1ccc(CN3CCC(C)CC3)o1)C2
InChIInChI=1S/C19H27N5O2/c1-13-6-8-22(9-7-13)11-16-4-5-17(26-16)19(25)23-10-14(2)24-15(3)20-21-18(24)12-23/h4-5,13-14H,6-12H2,1-3H3
InChIKeyLXBXFIDVOFAYNA-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.63
Rot. Bonds3

About (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (PubChem CID 72889339) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
PubChem CID72889339
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCc1nnc2n1C(C)CN(C(=O)c1ccc(CN3CCC(C)CC3)o1)C2
InChIInChI=1S/C19H27N5O2/c1-13-6-8-22(9-7-13)11-16-4-5-17(26-16)19(25)23-10-14(2)24-15(3)20-21-18(24)12-23/h4-5,13-14H,6-12H2,1-3H3
InChIKeyLXBXFIDVOFAYNA-UHFFFAOYSA-N
XLogP2.63
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
CID 91772141
[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
CID 90650035
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[(5S)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 97437450
[(5S)-3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-ethylsulfanylthiophen-2-yl)methanone
CID 97445851
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697611
(4-methylpiperidin-1-yl)-[5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanone
CID 35524645
[(3R)-3-aminopyrrolidin-1-yl]-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methanone
CID 125441733
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72850046
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 99992781

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The IUPAC name of (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (CID 72889339) is (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The canonical SMILES for (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is Cc1nnc2n1C(C)CN(C(=O)c1ccc(CN3CCC(C)CC3)o1)C2.
What is the InChIKey of (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The InChIKey is LXBXFIDVOFAYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-6-8-22(9-7-13)11-16-4-5-17(26-16)19(25)23-10-14(2)24-15(3)20-21-18(24)12-23/h4-5,13-14H,6-12H2,1-3H3.
What are the key properties of (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 72889339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).