2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide

C22H29N7O2 — CID 174200532

IUPAC2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
SMILESCCC1Nc2ncc(CN3CCN(c4ccc(CC(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C22H29N7O2/c1-3-18-22(31)27-19-10-15(12-25-21(19)26-18)14-28-6-8-29(9-7-28)17-5-4-16(24-13-17)11-20(30)23-2/h4-5,10,12-13,18H,3,6-9,11,14H2,1-2H3,(H,23,30)(H,25,26)(H,27,31)
InChIKeyPAOVDMINIACZDH-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.23
Rot. Bonds6

About 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide

2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide (PubChem CID 174200532) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
PubChem CID174200532
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide
SMILESCCC1Nc2ncc(CN3CCN(c4ccc(CC(=O)NC)nc4)CC3)cc2NC1=O
InChIInChI=1S/C22H29N7O2/c1-3-18-22(31)27-19-10-15(12-25-21(19)26-18)14-28-6-8-29(9-7-28)17-5-4-16(24-13-17)11-20(30)23-2/h4-5,10,12-13,18H,3,6-9,11,14H2,1-2H3,(H,23,30)(H,25,26)(H,27,31)
InChIKeyPAOVDMINIACZDH-UHFFFAOYSA-N
XLogP1.23
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?
The IUPAC name of 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide (CID 174200532) is 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?
The canonical SMILES for 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide is CCC1Nc2ncc(CN3CCN(c4ccc(CC(=O)NC)nc4)CC3)cc2NC1=O.
What is the InChIKey of 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?
The InChIKey is PAOVDMINIACZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-3-18-22(31)27-19-10-15(12-25-21(19)26-18)14-28-6-8-29(9-7-28)17-5-4-16(24-13-17)11-20(30)23-2/h4-5,10,12-13,18H,3,6-9,11,14H2,1-2H3,(H,23,30)(H,25,26)(H,27,31).
What are the key properties of 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide?
2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide has a molecular weight of 423.52 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(3-ethyl-2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]piperazin-1-yl]-2-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 174200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).