7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

C24H29F3N10O3 — CID 155272574

IUPAC7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N10O3/c1-34(18-14-19-31-20(22-29-3-10-39-22)33-37(19)23(28)32-18)4-5-35-6-8-36(9-7-35)16-13-17(24(25,26)27)21(30-15-16)40-12-11-38-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,28,32)
InChIKeySGKFPTNHBXVLPF-UHFFFAOYSA-N
MW562.56 g/mol
LogP2.06
Rot. Bonds10

About 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (PubChem CID 155272574) has the molecular formula C24H29F3N10O3 and a molecular weight of 562.56 g/mol. Its IUPAC name is 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
PubChem CID155272574
Molecular FormulaC24H29F3N10O3
Molecular Weight562.56 g/mol
Exact Mass562.24
IUPAC Name7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
SMILESCOCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H29F3N10O3/c1-34(18-14-19-31-20(22-29-3-10-39-22)33-37(19)23(28)32-18)4-5-35-6-8-36(9-7-35)16-13-17(24(25,26)27)21(30-15-16)40-12-11-38-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,28,32)
InChIKeySGKFPTNHBXVLPF-UHFFFAOYSA-N
XLogP2.06
TPSA136.20 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine (CID 155272574) is 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is COCCOc1ncc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)cc1C(F)(F)F.
What is the InChIKey of 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
The InChIKey is SGKFPTNHBXVLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N10O3/c1-34(18-14-19-31-20(22-29-3-10-39-22)33-37(19)23(28)32-18)4-5-35-6-8-36(9-7-35)16-13-17(24(25,26)27)21(30-15-16)40-12-11-38-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,28,32).
What are the key properties of 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine?
7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine has a molecular weight of 562.56 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-[4-[6-(2-methoxyethoxy)-5-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine is sourced from PubChem (CID 155272574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).