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

C24H25N5O — CID 130287257

IUPAC4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc(C)c1C
InChIInChI=1S/C24H25N5O/c1-15-12-18(13-16(2)17(15)3)20-14-22(29-8-10-30-11-9-29)27-23-19(20)4-6-25-24(23)21-5-7-26-28-21/h4-7,12-14H,8-11H2,1-3H3,(H,26,28)
InChIKeyNJMYFOVENOGJDT-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.45
Rot. Bonds3

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

4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 130287257) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID130287257
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc(C)c1C
InChIInChI=1S/C24H25N5O/c1-15-12-18(13-16(2)17(15)3)20-14-22(29-8-10-30-11-9-29)27-23-19(20)4-6-25-24(23)21-5-7-26-28-21/h4-7,12-14H,8-11H2,1-3H3,(H,26,28)
InChIKeyNJMYFOVENOGJDT-UHFFFAOYSA-N
XLogP4.45
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine (CID 130287257) is 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine is Cc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc(C)c1C.
What is the InChIKey of 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is NJMYFOVENOGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-12-18(13-16(2)17(15)3)20-14-22(29-8-10-30-11-9-29)27-23-19(20)4-6-25-24(23)21-5-7-26-28-21/h4-7,12-14H,8-11H2,1-3H3,(H,26,28).
What are the key properties of 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine?
4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 399.50 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 130287257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).