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

C22H31FN6O2 — CID 172991689

IUPAC3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4CN=C(C(=O)NC)C=C4F)CC3)=CC2NC1=O
InChIInChI=1S/C22H31FN6O2/c1-3-15-9-17-18(27-21(15)30)8-14(11-25-17)13-28-4-6-29(7-5-28)20-12-26-19(10-16(20)23)22(31)24-2/h8,10-11,15,17-18,20H,3-7,9,12-13H2,1-2H3,(H,24,31)(H,27,30)
InChIKeyDURZTXDZTLTZPZ-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.32
Rot. Bonds5

About 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide (PubChem CID 172991689) has the molecular formula C22H31FN6O2 and a molecular weight of 430.53 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]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide
PubChem CID172991689
Molecular FormulaC22H31FN6O2
Molecular Weight430.53 g/mol
Exact Mass430.25
IUPAC Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4CN=C(C(=O)NC)C=C4F)CC3)=CC2NC1=O
InChIInChI=1S/C22H31FN6O2/c1-3-15-9-17-18(27-21(15)30)8-14(11-25-17)13-28-4-6-29(7-5-28)20-12-26-19(10-16(20)23)22(31)24-2/h8,10-11,15,17-18,20H,3-7,9,12-13H2,1-2H3,(H,24,31)(H,27,30)
InChIKeyDURZTXDZTLTZPZ-UHFFFAOYSA-N
XLogP0.32
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide (CID 172991689) is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide is CCC1CC2N=CC(CN3CCN(C4CN=C(C(=O)NC)C=C4F)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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide?
The InChIKey is DURZTXDZTLTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN6O2/c1-3-15-9-17-18(27-21(15)30)8-14(11-25-17)13-28-4-6-29(7-5-28)20-12-26-19(10-16(20)23)22(31)24-2/h8,10-11,15,17-18,20H,3-7,9,12-13H2,1-2H3,(H,24,31)(H,27,30).
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]-4-fluoro-N-methyl-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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-fluoro-N-methyl-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 172991689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).