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

C21H19ClN6O — CID 118869510

IUPAC4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C21H19ClN6O/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/h2-7,12H,8-11H2,1H3,(H,24,27)
InChIKeyOIHLCEPACYRTRD-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.88
Rot. Bonds3

About 4-[4-(2-chloro-6-methyl-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 (PubChem CID 118869510) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 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.

Molecular Properties

Compound Name4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869510
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C21H19ClN6O/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/h2-7,12H,8-11H2,1H3,(H,24,27)
InChIKeyOIHLCEPACYRTRD-UHFFFAOYSA-N
XLogP3.88
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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?
The IUPAC name of 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869510) is 4-[4-(2-chloro-6-methyl-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?
The canonical SMILES for 4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is 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?
The InChIKey is OIHLCEPACYRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/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/h2-7,12H,8-11H2,1H3,(H,24,27).
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-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 406.88 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 118869510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).