5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide

About 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide

5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 178131767) has the molecular formula C24H28F2N8O2 and a molecular weight of 498.54 g/mol. Its IUPAC name is 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name	5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID	178131767
Molecular Formula	C24H28F2N8O2
Molecular Weight	498.54 g/mol
Exact Mass	498.23
IUPAC Name	5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide
SMILES	CCc1nc2cnc(CN3CCN(c4ccc(C(=O)NN5CCCC5)nc4F)CC3)c(F)c2[nH]c1=O
InChI	InChI=1S/C24H28F2N8O2/c1-2-15-23(35)30-21-17(28-15)13-27-18(20(21)25)14-32-9-11-33(12-10-32)19-6-5-16(29-22(19)26)24(36)31-34-7-3-4-8-34/h5-6,13H,2-4,7-12,14H2,1H3,(H,30,35)(H,31,36)
InChIKey	GXCMMOTWGYTEKN-UHFFFAOYSA-N
XLogP	1.62
TPSA	110.35 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?

The IUPAC name of 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide (CID 178131767) is 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide is CCc1nc2cnc(CN3CCN(c4ccc(C(=O)NN5CCCC5)nc4F)CC3)c(F)c2[nH]c1=O.

What is the InChIKey of 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?

The InChIKey is GXCMMOTWGYTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O2/c1-2-15-23(35)30-21-17(28-15)13-27-18(20(21)25)14-32-9-11-33(12-10-32)19-6-5-16(29-22(19)26)24(36)31-34-7-3-4-8-34/h5-6,13H,2-4,7-12,14H2,1H3,(H,30,35)(H,31,36).

What are the key properties of 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide?

5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-pyrido[3,4-b]pyrazin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 178131767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).