6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H24FN5O2 — CID 174612416

IUPAC6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1nc(F)ccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C25H24FN5O2/c1-16-20(6-7-23(26)28-16)21-14-17-8-9-27-22(15-32)24(17)25(30-21)29-18-2-4-19(5-3-18)31-10-12-33-13-11-31/h2-9,14-15,22,27H,10-13H2,1H3,(H,29,30)
InChIKeyCMDYKJSWTASHTC-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.99
Rot. Bonds5

About 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612416) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612416
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1nc(F)ccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C25H24FN5O2/c1-16-20(6-7-23(26)28-16)21-14-17-8-9-27-22(15-32)24(17)25(30-21)29-18-2-4-19(5-3-18)31-10-12-33-13-11-31/h2-9,14-15,22,27H,10-13H2,1H3,(H,29,30)
InChIKeyCMDYKJSWTASHTC-UHFFFAOYSA-N
XLogP3.99
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612416) is 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is Cc1nc(F)ccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2.
What is the InChIKey of 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is CMDYKJSWTASHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-20(6-7-23(26)28-16)21-14-17-8-9-27-22(15-32)24(17)25(30-21)29-18-2-4-19(5-3-18)31-10-12-33-13-11-31/h2-9,14-15,22,27H,10-13H2,1H3,(H,29,30).
What are the key properties of 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 445.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).