4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide

C25H28N6O2 — CID 58093631

IUPAC4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2nc(-c3cnn(CC(C)C)c3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C25H28N6O2/c1-4-10-26-24(32)17-5-7-20(8-6-17)29-23-22-18(9-11-27-25(22)33)12-21(30-23)19-13-28-31(15-19)14-16(2)3/h5-9,11-13,15-16H,4,10,14H2,1-3H3,(H,26,32)(H,27,33)(H,29,30)
InChIKeyAXCIIMIFCBHLDJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.33
Rot. Bonds8

About 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide

4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide (PubChem CID 58093631) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
PubChem CID58093631
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2nc(-c3cnn(CC(C)C)c3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C25H28N6O2/c1-4-10-26-24(32)17-5-7-20(8-6-17)29-23-22-18(9-11-27-25(22)33)12-21(30-23)19-13-28-31(15-19)14-16(2)3/h5-9,11-13,15-16H,4,10,14H2,1-3H3,(H,26,32)(H,27,33)(H,29,30)
InChIKeyAXCIIMIFCBHLDJ-UHFFFAOYSA-N
XLogP4.33
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide (CID 58093631) is 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2nc(-c3cnn(CC(C)C)c3)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The InChIKey is AXCIIMIFCBHLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-4-10-26-24(32)17-5-7-20(8-6-17)29-23-22-18(9-11-27-25(22)33)12-21(30-23)19-13-28-31(15-19)14-16(2)3/h5-9,11-13,15-16H,4,10,14H2,1-3H3,(H,26,32)(H,27,33)(H,29,30).
What are the key properties of 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 58093631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).