4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C42H39ClN12O3 — CID 135313430

IUPAC4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C21H19ClN6O.C21H20N6O2/c1-13-2-3-15(21(22)25-13)16-12-18(28-8-10-29-11-9-28)26-19-14(16)4-6-23-20(19)17-5-7-24-27-17;1-28-21-15(3-2-6-23-21)16-13-18(27-9-11-29-12-10-27)25-19-14(16)4-7-22-20(19)17-5-8-24-26-17/h2-7,12H,8-11H2,1H3,(H,24,27);2-8,13H,9-12H2,1H3,(H,24,26)
InChIKeyRJNZDHTVNKHZMR-UHFFFAOYSA-N
MW795.31 g/mol
LogP6.81
Rot. Bonds7

About 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313430) has the molecular formula C42H39ClN12O3 and a molecular weight of 795.31 g/mol. Its IUPAC name is 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313430
Molecular FormulaC42H39ClN12O3
Molecular Weight795.31 g/mol
Exact Mass794.30
IUPAC Name4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C21H19ClN6O.C21H20N6O2/c1-13-2-3-15(21(22)25-13)16-12-18(28-8-10-29-11-9-28)26-19-14(16)4-6-23-20(19)17-5-7-24-27-17;1-28-21-15(3-2-6-23-21)16-13-18(27-9-11-29-12-10-27)25-19-14(16)4-7-22-20(19)17-5-8-24-26-17/h2-7,12H,8-11H2,1H3,(H,24,27);2-8,13H,9-12H2,1H3,(H,24,26)
InChIKeyRJNZDHTVNKHZMR-UHFFFAOYSA-N
XLogP6.81
TPSA168.87 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.31
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313430) is 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ncccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.Cc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1.
What is the InChIKey of 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RJNZDHTVNKHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O.C21H20N6O2/c1-13-2-3-15(21(22)25-13)16-12-18(28-8-10-29-11-9-28)26-19-14(16)4-6-23-20(19)17-5-7-24-27-17;1-28-21-15(3-2-6-23-21)16-13-18(27-9-11-29-12-10-27)25-19-14(16)4-7-22-20(19)17-5-8-24-26-17/h2-7,12H,8-11H2,1H3,(H,24,27);2-8,13H,9-12H2,1H3,(H,24,26).
What are the key properties of 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 795.31 g/mol, XLogP of 6.81, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(2-methoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).