5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C16H18F3N9O4 — CID 134262649

IUPAC5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(C(N)=O)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N9O2.C2HF3O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23;3-2(4,5)1(6)7/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25);(H,6,7)
InChIKeyWKAOVURMXUAWTF-UHFFFAOYSA-N
MW457.37 g/mol
LogP-0.18
Rot. Bonds6

About 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 134262649) has the molecular formula C16H18F3N9O4 and a molecular weight of 457.37 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID134262649
Molecular FormulaC16H18F3N9O4
Molecular Weight457.37 g/mol
Exact Mass457.14
IUPAC Name5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(C(N)=O)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N9O2.C2HF3O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23;3-2(4,5)1(6)7/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25);(H,6,7)
InChIKeyWKAOVURMXUAWTF-UHFFFAOYSA-N
XLogP-0.18
TPSA195.55 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid 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 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 134262649) is 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(C(N)=O)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WKAOVURMXUAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O2.C2HF3O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23;3-2(4,5)1(6)7/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25);(H,6,7).
What are the key properties of 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 457.37 g/mol, XLogP of -0.18, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134262649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).