N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid

C17H19F3N6O4 — CID 166363599

IUPACN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc2c(C(=O)Nc3nn(C)c(C)c3CN)n[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6O2.C2HF3O2/c1-8-10(7-16)14(20-21(8)2)17-15(22)13-9-5-4-6-11(23-3)12(9)18-19-13;3-2(4,5)1(6)7/h4-6H,7,16H2,1-3H3,(H,18,19)(H,17,20,22);(H,6,7)
InChIKeyCFJWHABEIZKSMO-UHFFFAOYSA-N
MW428.37 g/mol
LogP1.96
Rot. Bonds4

About N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid

N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166363599) has the molecular formula C17H19F3N6O4 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166363599
Molecular FormulaC17H19F3N6O4
Molecular Weight428.37 g/mol
Exact Mass428.14
IUPAC NameN-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc2c(C(=O)Nc3nn(C)c(C)c3CN)n[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6O2.C2HF3O2/c1-8-10(7-16)14(20-21(8)2)17-15(22)13-9-5-4-6-11(23-3)12(9)18-19-13;3-2(4,5)1(6)7/h4-6H,7,16H2,1-3H3,(H,18,19)(H,17,20,22);(H,6,7)
InChIKeyCFJWHABEIZKSMO-UHFFFAOYSA-N
XLogP1.96
TPSA148.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 166363599) is N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc2c(C(=O)Nc3nn(C)c(C)c3CN)n[nH]c12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CFJWHABEIZKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2.C2HF3O2/c1-8-10(7-16)14(20-21(8)2)17-15(22)13-9-5-4-6-11(23-3)12(9)18-19-13;3-2(4,5)1(6)7/h4-6H,7,16H2,1-3H3,(H,18,19)(H,17,20,22);(H,6,7).
What are the key properties of N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 428.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-7-methoxy-1H-indazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166363599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).