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

C23H23N5O — CID 122585620

IUPAC4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(C)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C23H23N5O/c1-15-3-4-16(2)18(13-15)19-14-21(28-9-11-29-12-10-28)26-22-17(19)5-7-24-23(22)20-6-8-25-27-20/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyGITZTLIKFAHOHI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.14
Rot. Bonds3

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

4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585620) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID122585620
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1ccc(C)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C23H23N5O/c1-15-3-4-16(2)18(13-15)19-14-21(28-9-11-29-12-10-28)26-22-17(19)5-7-24-23(22)20-6-8-25-27-20/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyGITZTLIKFAHOHI-UHFFFAOYSA-N
XLogP4.14
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585620) is 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1ccc(C)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is GITZTLIKFAHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-3-4-16(2)18(13-15)19-14-21(28-9-11-29-12-10-28)26-22-17(19)5-7-24-23(22)20-6-8-25-27-20/h3-8,13-14H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 385.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 122585620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).