7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H31N7O — CID 23570338

IUPAC7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(C)CNC1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C25H31N7O/c1-25(2,3)16-27-18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-29-23(21-8-5-13-33-21)30-32(22)24(26)28-20/h4-8,13-15,18,27H,9-12,16H2,1-3H3,(H2,26,28)
InChIKeyLNPCBJKKVJTNMT-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.24
Rot. Bonds5

About 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 23570338) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID23570338
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(C)CNC1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1
InChIInChI=1S/C25H31N7O/c1-25(2,3)16-27-18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-29-23(21-8-5-13-33-21)30-32(22)24(26)28-20/h4-8,13-15,18,27H,9-12,16H2,1-3H3,(H2,26,28)
InChIKeyLNPCBJKKVJTNMT-UHFFFAOYSA-N
XLogP4.24
TPSA97.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine 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

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
CID 9912318
CID 9912318
N~5~-{2-[4-(2,4-Difluorophenyl)piperazin-1-Yl]ethyl}-2-(Furan-2-Yl)[1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 44394716
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 24768420
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 24768423
N~4~-Cyclopropyl-N~2~-(3-Methyl-1h-Indazol-6-Yl)furo[3,2-D]pyrimidine-2,4-Diamine
CID 67130050
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
2-(Furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10127804
2-(Furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10196061

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 23570338) is 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)(C)CNC1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1.
What is the InChIKey of 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is LNPCBJKKVJTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-25(2,3)16-27-18-9-11-31(12-10-18)19-7-4-6-17(14-19)20-15-22-29-23(21-8-5-13-33-21)30-32(22)24(26)28-20/h4-8,13-15,18,27H,9-12,16H2,1-3H3,(H2,26,28).
What are the key properties of 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 445.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(2,2-dimethylpropylamino)piperidin-1-yl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 23570338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).