9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine

C20H21F3N4 — CID 137091894

IUPAC9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESCC=C(CC(F)(F)F)N1CCC(c2cc[nH]c3cnc4nccc4c23)CC1
InChIInChI=1S/C20H21F3N4/c1-2-14(11-20(21,22)23)27-9-5-13(6-10-27)15-3-7-24-17-12-26-19-16(18(15)17)4-8-25-19/h2-4,7-8,12-13,24H,5-6,9-11H2,1H3
InChIKeyPFPWDECKKADBNC-UHFFFAOYSA-N
MW374.41 g/mol
LogP5.15
Rot. Bonds3

About 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine

9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine (PubChem CID 137091894) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine.

Molecular Properties

Compound Name9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
PubChem CID137091894
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine
SMILESCC=C(CC(F)(F)F)N1CCC(c2cc[nH]c3cnc4nccc4c23)CC1
InChIInChI=1S/C20H21F3N4/c1-2-14(11-20(21,22)23)27-9-5-13(6-10-27)15-3-7-24-17-12-26-19-16(18(15)17)4-8-25-19/h2-4,7-8,12-13,24H,5-6,9-11H2,1H3
InChIKeyPFPWDECKKADBNC-UHFFFAOYSA-N
XLogP5.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The IUPAC name of 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine (CID 137091894) is 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine.
What is the SMILES notation for 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The canonical SMILES for 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine is CC=C(CC(F)(F)F)N1CCC(c2cc[nH]c3cnc4nccc4c23)CC1.
What is the InChIKey of 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
The InChIKey is PFPWDECKKADBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-2-14(11-20(21,22)23)27-9-5-13(6-10-27)15-3-7-24-17-12-26-19-16(18(15)17)4-8-25-19/h2-4,7-8,12-13,24H,5-6,9-11H2,1H3.
What are the key properties of 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine?
9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine has a molecular weight of 374.41 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(5,5,5-trifluoropent-2-en-3-yl)piperidin-4-yl]-6H-pyrrolo[3,2-f][1,7]naphthyridine is sourced from PubChem (CID 137091894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).