6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

C20H18FN5O — CID 59375441

IUPAC6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(Nc1nc2c(-c3cn[nH]c3)c[nH]c(=O)c2c2cc(F)ccc12)C1CC1
InChIInChI=1S/C20H18FN5O/c1-10(11-2-3-11)25-19-14-5-4-13(21)6-15(14)17-18(26-19)16(9-22-20(17)27)12-7-23-24-8-12/h4-11H,2-3H2,1H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyCSFPFJSVUBKMTO-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.82
Rot. Bonds4

About 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one

6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 59375441) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID59375441
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCC(Nc1nc2c(-c3cn[nH]c3)c[nH]c(=O)c2c2cc(F)ccc12)C1CC1
InChIInChI=1S/C20H18FN5O/c1-10(11-2-3-11)25-19-14-5-4-13(21)6-15(14)17-18(26-19)16(9-22-20(17)27)12-7-23-24-8-12/h4-11H,2-3H2,1H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyCSFPFJSVUBKMTO-UHFFFAOYSA-N
XLogP3.82
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one (CID 59375441) is 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is CC(Nc1nc2c(-c3cn[nH]c3)c[nH]c(=O)c2c2cc(F)ccc12)C1CC1.
What is the InChIKey of 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is CSFPFJSVUBKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-10(11-2-3-11)25-19-14-5-4-13(21)6-15(14)17-18(26-19)16(9-22-20(17)27)12-7-23-24-8-12/h4-11H,2-3H2,1H3,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one?
6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 363.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethylamino)-9-fluoro-4-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 59375441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).