7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C23H26F2N10 — CID 44571835

IUPAC7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCc1nccnc1-c1nc2cc(N(C)CCN3CCN(c4ccc(F)cc4F)CC3)nc(N)n2n1
InChIInChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30)
InChIKeyKNLVCUBRKZFOEV-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.01
Rot. Bonds6

About 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 44571835) has the molecular formula C23H26F2N10 and a molecular weight of 480.53 g/mol. Its IUPAC name is 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID44571835
Molecular FormulaC23H26F2N10
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Name7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCc1nccnc1-c1nc2cc(N(C)CCN3CCN(c4ccc(F)cc4F)CC3)nc(N)n2n1
InChIInChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30)
InChIKeyKNLVCUBRKZFOEV-UHFFFAOYSA-N
XLogP2.01
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 44571835) is 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is Cc1nccnc1-c1nc2cc(N(C)CCN3CCN(c4ccc(F)cc4F)CC3)nc(N)n2n1.
What is the InChIKey of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is KNLVCUBRKZFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30).
What are the key properties of 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 480.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-7-N-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 44571835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).