1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine

C19H20F3N5 — CID 137230004

IUPAC1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine
SMILESC=C(CC(F)(F)F)NC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C19H20F3N5/c1-12(9-19(20,21)22)26-13-3-2-8-27(11-13)16-5-7-23-15-10-25-18-14(17(15)16)4-6-24-18/h4-7,10,13,23,26H,1-3,8-9,11H2
InChIKeyOQUXWDMZLDHQDJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.14
Rot. Bonds4

About 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine (PubChem CID 137230004) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine
PubChem CID137230004
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine
SMILESC=C(CC(F)(F)F)NC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C19H20F3N5/c1-12(9-19(20,21)22)26-13-3-2-8-27(11-13)16-5-7-23-15-10-25-18-14(17(15)16)4-6-24-18/h4-7,10,13,23,26H,1-3,8-9,11H2
InChIKeyOQUXWDMZLDHQDJ-UHFFFAOYSA-N
XLogP4.14
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine?
The IUPAC name of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine (CID 137230004) is 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine is C=C(CC(F)(F)F)NC1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.
What is the InChIKey of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine?
The InChIKey is OQUXWDMZLDHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c1-12(9-19(20,21)22)26-13-3-2-8-27(11-13)16-5-7-23-15-10-25-18-14(17(15)16)4-6-24-18/h4-7,10,13,23,26H,1-3,8-9,11H2.
What are the key properties of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine?
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine has a molecular weight of 375.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine is sourced from PubChem (CID 137230004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).