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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Related Compounds

4-cyclopropyl-6-[[(2R)-3,3-dimethylbutan-2-yl]amino]-9-(1H-pyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878020
9-bromo-4-[cyclopropyl(hydroxy)methyl]-6-(3,3-dimethylbutan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375392
9-bromo-6-(3,3-dimethylbutan-2-ylamino)-4-pyridin-3-yl-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878034
9-fluoro-6-[[(1S)-1-phenylethyl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096530
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-6-(3,3-dimethylbutan-2-ylamino)-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475404
7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
CID 105487560
(5S)-5-[5-fluoro-2-(1H-pyrazol-4-yl)phenyl]-3-methylideneoxolan-2-one
CID 178146750
6-(3,3-dimethylbutan-2-ylamino)-4,9-di(propan-2-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878068
4-acetyl-9-bromo-6-(3,3-dimethylbutan-2-ylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375691
15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 70273023
4-[3,6,8-tris(1H-pyrazol-4-yl)pyren-1-yl]-1H-pyrazole
CID 156698831
2-tert-butyl-4-[[4-(2-cyclopropylethynyl)-9-fluoro-1-oxo-2H-benzo[c][1,6]naphthyridin-6-yl]amino]-3-fluoropiperidine-1-carboxylic acid
CID 67427393

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).