6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C26H30N6O2 — CID 174626580

IUPAC6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCCCCn1nccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C26H30N6O2/c1-2-3-12-32-24(9-11-28-32)22-17-19-8-10-27-23(18-33)25(19)26(30-22)29-20-4-6-21(7-5-20)31-13-15-34-16-14-31/h4-11,17-18,23,27H,2-3,12-16H2,1H3,(H,29,30)
InChIKeyWOPFDBCCMBSBGB-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.14
Rot. Bonds8

About 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626580) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626580
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCCCCn1nccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2
InChIInChI=1S/C26H30N6O2/c1-2-3-12-32-24(9-11-28-32)22-17-19-8-10-27-23(18-33)25(19)26(30-22)29-20-4-6-21(7-5-20)31-13-15-34-16-14-31/h4-11,17-18,23,27H,2-3,12-16H2,1H3,(H,29,30)
InChIKeyWOPFDBCCMBSBGB-UHFFFAOYSA-N
XLogP4.14
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269437
6-(5-ethoxy-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269453
6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612416
6-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612072
8-(4-morpholin-4-ylanilino)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626868
6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612052
8-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-piperidin-4-ylpyrazol-4-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626679
6-[2-(3-fluorophenyl)butanimidoyl]-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626730
6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626623
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269454

Frequently Asked Questions

What is the IUPAC name of 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626580) is 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is CCCCn1nccc1-c1cc2c(c(Nc3ccc(N4CCOCC4)cc3)n1)C(C=O)NC=C2.
What is the InChIKey of 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is WOPFDBCCMBSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-2-3-12-32-24(9-11-28-32)22-17-19-8-10-27-23(18-33)25(19)26(30-22)29-20-4-6-21(7-5-20)31-13-15-34-16-14-31/h4-11,17-18,23,27H,2-3,12-16H2,1H3,(H,29,30).
What are the key properties of 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 458.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).