7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine

C17H15F3N6 — CID 153167633

IUPAC7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)(F)F)cc12
InChIInChI=1S/C17H15F3N6/c18-17(19,20)8-22-7-10-6-12-15(24-10)11-2-1-9(13-3-4-23-26-13)5-14(11)25-16(12)21/h1-6,22,24H,7-8H2,(H2,21,25)(H,23,26)
InChIKeyWDONOVLZERXJJK-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.34
Rot. Bonds4

About 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine

7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 153167633) has the molecular formula C17H15F3N6 and a molecular weight of 360.34 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID153167633
Molecular FormulaC17H15F3N6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Name7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)(F)F)cc12
InChIInChI=1S/C17H15F3N6/c18-17(19,20)8-22-7-10-6-12-15(24-10)11-2-1-9(13-3-4-23-26-13)5-14(11)25-16(12)21/h1-6,22,24H,7-8H2,(H2,21,25)(H,23,26)
InChIKeyWDONOVLZERXJJK-UHFFFAOYSA-N
XLogP3.34
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 153167633) is 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)(F)F)cc12.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is WDONOVLZERXJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6/c18-17(19,20)8-22-7-10-6-12-15(24-10)11-2-1-9(13-3-4-23-26-13)5-14(11)25-16(12)21/h1-6,22,24H,7-8H2,(H2,21,25)(H,23,26).
What are the key properties of 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine?
7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 360.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-2-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 153167633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).