7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C25H33N7O4 — CID 45486572

IUPAC7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-20-14-19(18-5-6-21(35-3)26-15-18)16-27-23(20)29-24(25(32)34)28-17-22(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,27,28,29)
InChIKeyVYLBTDDVUFATED-UHFFFAOYSA-N
MW495.58 g/mol
LogP1.47
Rot. Bonds10

About 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 45486572) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID45486572
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-20-14-19(18-5-6-21(35-3)26-15-18)16-27-23(20)29-24(25(32)34)28-17-22(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,27,28,29)
InChIKeyVYLBTDDVUFATED-UHFFFAOYSA-N
XLogP1.47
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 45486572) is 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC(=O)N2CCN(C)CC2)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is VYLBTDDVUFATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-4-12-36-13-11-32-20-14-19(18-5-6-21(35-3)26-15-18)16-27-23(20)29-24(25(32)34)28-17-22(33)31-9-7-30(2)8-10-31/h5-6,14-16H,4,7-13,17H2,1-3H3,(H,27,28,29).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 495.58 g/mol, XLogP of 1.47, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 45486572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).