7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H22F2N8O — CID 10239004

IUPAC7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cncc(CN3CCN(c4ccc(F)cc4F)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H22F2N8O/c26-18-3-4-21(19(27)11-18)34-7-5-33(6-8-34)15-16-10-17(14-29-13-16)20-12-23-31-24(22-2-1-9-36-22)32-35(23)25(28)30-20/h1-4,9-14H,5-8,15H2,(H2,28,30)
InChIKeyLVAKQPLJVVJVSH-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.63
Rot. Bonds5

About 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10239004) has the molecular formula C25H22F2N8O and a molecular weight of 488.50 g/mol. Its IUPAC name is 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10239004
Molecular FormulaC25H22F2N8O
Molecular Weight488.50 g/mol
Exact Mass488.19
IUPAC Name7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cncc(CN3CCN(c4ccc(F)cc4F)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H22F2N8O/c26-18-3-4-21(19(27)11-18)34-7-5-33(6-8-34)15-16-10-17(14-29-13-16)20-12-23-31-24(22-2-1-9-36-22)32-35(23)25(28)30-20/h1-4,9-14H,5-8,15H2,(H2,28,30)
InChIKeyLVAKQPLJVVJVSH-UHFFFAOYSA-N
XLogP3.63
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

Preladenant
CID 10117987
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
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
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-pyridin-4-ylurea;hydrochloride
CID 9887858
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
3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974
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
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10239004) is 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cncc(CN3CCN(c4ccc(F)cc4F)CC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is LVAKQPLJVVJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O/c26-18-3-4-21(19(27)11-18)34-7-5-33(6-8-34)15-16-10-17(14-29-13-16)20-12-23-31-24(22-2-1-9-36-22)32-35(23)25(28)30-20/h1-4,9-14H,5-8,15H2,(H2,28,30).
What are the key properties of 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 488.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-pyridinyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).