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

C21H19ClN6O2 — CID 118869430

IUPAC4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl
InChIInChI=1S/C21H19ClN6O2/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16/h2-7,12H,8-11H2,1H3,(H,25,27)
InChIKeyDTILLSWXUVWMBY-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.58
Rot. Bonds4

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

4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869430) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869430
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl
InChIInChI=1S/C21H19ClN6O2/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16/h2-7,12H,8-11H2,1H3,(H,25,27)
InChIKeyDTILLSWXUVWMBY-UHFFFAOYSA-N
XLogP3.58
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869430) is 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl.
What is the InChIKey of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is DTILLSWXUVWMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16/h2-7,12H,8-11H2,1H3,(H,25,27).
What are the key properties of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 422.88 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).