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

C17H16F2N6 — CID 146724594

IUPAC2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)F)cc12
InChIInChI=1S/C17H16F2N6/c18-15(19)8-21-7-10-6-12-16(23-10)11-2-1-9(13-3-4-22-25-13)5-14(11)24-17(12)20/h1-6,15,21,23H,7-8H2,(H2,20,24)(H,22,25)
InChIKeyRGCRXMFVXKYVQU-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.04
Rot. Bonds5

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

2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 146724594) has the molecular formula C17H16F2N6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID146724594
Molecular FormulaC17H16F2N6
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)F)cc12
InChIInChI=1S/C17H16F2N6/c18-15(19)8-21-7-10-6-12-16(23-10)11-2-1-9(13-3-4-22-25-13)5-14(11)24-17(12)20/h1-6,15,21,23H,7-8H2,(H2,20,24)(H,22,25)
InChIKeyRGCRXMFVXKYVQU-UHFFFAOYSA-N
XLogP3.04
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 146724594) is 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCC(F)F)cc12.
What is the InChIKey of 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is RGCRXMFVXKYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6/c18-15(19)8-21-7-10-6-12-16(23-10)11-2-1-9(13-3-4-22-25-13)5-14(11)24-17(12)20/h1-6,15,21,23H,7-8H2,(H2,20,24)(H,22,25).
What are the key properties of 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 342.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 146724594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).