6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile

C19H13Cl2FN4O — CID 175823314

IUPAC6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)nc2c1Nc1ccc(OCC2CC2)c(Cl)c1F
InChIInChI=1S/C19H13Cl2FN4O/c20-15-6-4-13-19(26-15)18(11(7-23)8-24-13)25-12-3-5-14(16(21)17(12)22)27-9-10-1-2-10/h3-6,8,10H,1-2,9H2,(H,24,25)
InChIKeyCFJLVVQTNWUDBE-UHFFFAOYSA-N
MW403.24 g/mol
LogP5.48
Rot. Bonds5

About 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile

6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile (PubChem CID 175823314) has the molecular formula C19H13Cl2FN4O and a molecular weight of 403.24 g/mol. Its IUPAC name is 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile
PubChem CID175823314
Molecular FormulaC19H13Cl2FN4O
Molecular Weight403.24 g/mol
Exact Mass402.05
IUPAC Name6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)nc2c1Nc1ccc(OCC2CC2)c(Cl)c1F
InChIInChI=1S/C19H13Cl2FN4O/c20-15-6-4-13-19(26-15)18(11(7-23)8-24-13)25-12-3-5-14(16(21)17(12)22)27-9-10-1-2-10/h3-6,8,10H,1-2,9H2,(H,24,25)
InChIKeyCFJLVVQTNWUDBE-UHFFFAOYSA-N
XLogP5.48
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
4-[3-chloro-4-(difluoromethoxy)-2-fluoroanilino]-6-[(1S,4S)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,5-naphthyridine-3-carbonitrile
CID 175823315
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175832595
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539416
1-[(3S)-3-[4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532206
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
4-(3,4-dichloro-2-fluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinoline-3-carbonitrile
CID 139443770
4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
7-(7-azaspiro[3.5]nonan-2-ylmethoxy)-4-[2-chloro-4-[(6-chloro-2-pyridinyl)methoxy]-5-fluoroanilino]-6-methoxyquinoline-3-carbonitrile
CID 177021274
4-(3-chloro-2-fluoro-4-methylanilino)-6-[[1-[(E)-3-(dimethylamino)prop-2-enoyl]piperidin-3-yl]methyl]-7-ethoxyquinoline-3-carbonitrile
CID 159195940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile (CID 175823314) is 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile is N#Cc1cnc2ccc(Cl)nc2c1Nc1ccc(OCC2CC2)c(Cl)c1F.
What is the InChIKey of 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile?
The InChIKey is CFJLVVQTNWUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4O/c20-15-6-4-13-19(26-15)18(11(7-23)8-24-13)25-12-3-5-14(16(21)17(12)22)27-9-10-1-2-10/h3-6,8,10H,1-2,9H2,(H,24,25).
What are the key properties of 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile?
6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile has a molecular weight of 403.24 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 175823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).