3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide

C25H34N8O2 — CID 172991721

IUPAC3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)Nc5ccn(C)n5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C25H34N8O2/c1-3-18-13-21-22(28-24(18)34)12-17(14-26-21)16-32-8-10-33(11-9-32)19-4-5-20(27-15-19)25(35)29-23-6-7-31(2)30-23/h4-7,12,14,18-19,21-22H,3,8-11,13,15-16H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyMCHFSANMIHSFOP-UHFFFAOYSA-N
MW478.60 g/mol
LogP0.65
Rot. Bonds6

About 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide

3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide (PubChem CID 172991721) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide
PubChem CID172991721
Molecular FormulaC25H34N8O2
Molecular Weight478.60 g/mol
Exact Mass478.28
IUPAC Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)Nc5ccn(C)n5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C25H34N8O2/c1-3-18-13-21-22(28-24(18)34)12-17(14-26-21)16-32-8-10-33(11-9-32)19-4-5-20(27-15-19)25(35)29-23-6-7-31(2)30-23/h4-7,12,14,18-19,21-22H,3,8-11,13,15-16H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyMCHFSANMIHSFOP-UHFFFAOYSA-N
XLogP0.65
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide?
The IUPAC name of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide (CID 172991721) is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide.
What is the SMILES notation for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide?
The canonical SMILES for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide is CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)Nc5ccn(C)n5)=NC4)CC3)=CC2NC1=O.
What is the InChIKey of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide?
The InChIKey is MCHFSANMIHSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-3-18-13-21-22(28-24(18)34)12-17(14-26-21)16-32-8-10-33(11-9-32)19-4-5-20(27-15-19)25(35)29-23-6-7-31(2)30-23/h4-7,12,14,18-19,21-22H,3,8-11,13,15-16H2,1-2H3,(H,28,34)(H,29,30,35).
What are the key properties of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide?
3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpyrazol-3-yl)-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 172991721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).