2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide

C24H22N8O — CID 86701145

IUPAC2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide
SMILESCCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O
InChIInChI=1S/C24H22N8O/c1-3-26-19-10-15(4-5-17(19)24(25)33)22-23-18(6-8-27-22)21(7-9-28-23)32-13-20(29-14-32)16-11-30-31(2)12-16/h4-14,26H,3H2,1-2H3,(H2,25,33)
InChIKeyDFIDSALHMVQEIZ-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.41
Rot. Bonds6

About 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide

2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide (PubChem CID 86701145) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide
PubChem CID86701145
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide
SMILESCCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O
InChIInChI=1S/C24H22N8O/c1-3-26-19-10-15(4-5-17(19)24(25)33)22-23-18(6-8-27-22)21(7-9-28-23)32-13-20(29-14-32)16-11-30-31(2)12-16/h4-14,26H,3H2,1-2H3,(H2,25,33)
InChIKeyDFIDSALHMVQEIZ-UHFFFAOYSA-N
XLogP3.41
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide?
The IUPAC name of 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide (CID 86701145) is 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide.
What is the SMILES notation for 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide?
The canonical SMILES for 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide is CCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide?
The InChIKey is DFIDSALHMVQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-3-26-19-10-15(4-5-17(19)24(25)33)22-23-18(6-8-27-22)21(7-9-28-23)32-13-20(29-14-32)16-11-30-31(2)12-16/h4-14,26H,3H2,1-2H3,(H2,25,33).
What are the key properties of 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide?
2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide has a molecular weight of 438.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-1,7-naphthyridin-8-yl]benzamide is sourced from PubChem (CID 86701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).