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

C21H20N6O2 — CID 118869271

IUPAC4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1
InChIInChI=1S/C21H20N6O2/c1-28-19-12-14(2-5-22-19)16-13-18(27-8-10-29-11-9-27)25-20-15(16)3-6-23-21(20)17-4-7-24-26-17/h2-7,12-13H,8-11H2,1H3,(H,24,26)
InChIKeyWRVNLAIBRYKYSB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.93
Rot. Bonds4

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

4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869271) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869271
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1
InChIInChI=1S/C21H20N6O2/c1-28-19-12-14(2-5-22-19)16-13-18(27-8-10-29-11-9-27)25-20-15(16)3-6-23-21(20)17-4-7-24-26-17/h2-7,12-13H,8-11H2,1H3,(H,24,26)
InChIKeyWRVNLAIBRYKYSB-UHFFFAOYSA-N
XLogP2.93
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869271) is 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1.
What is the InChIKey of 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is WRVNLAIBRYKYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-19-12-14(2-5-22-19)16-13-18(27-8-10-29-11-9-27)25-20-15(16)3-6-23-21(20)17-4-7-24-26-17/h2-7,12-13H,8-11H2,1H3,(H,24,26).
What are the key properties of 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 388.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).