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

C24H30N6O5 — CID 70320633

IUPAC3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CC[C@H](O)C2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O5/c1-3-9-35-10-8-30-19-11-17(16-4-5-20(34-2)25-12-16)13-26-22(19)28-23(24(30)33)27-14-21(32)29-7-6-18(31)15-29/h4-5,11-13,18,31H,3,6-10,14-15H2,1-2H3,(H,26,27,28)/t18-/m0/s1
InChIKeyRDSUBXPCMWRRMG-SFHVURJKSA-N
MW482.54 g/mol
LogP1.29
Rot. Bonds10

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

3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320633) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID70320633
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC Name3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC(=O)N2CC[C@H](O)C2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H30N6O5/c1-3-9-35-10-8-30-19-11-17(16-4-5-20(34-2)25-12-16)13-26-22(19)28-23(24(30)33)27-14-21(32)29-7-6-18(31)15-29/h4-5,11-13,18,31H,3,6-10,14-15H2,1-2H3,(H,26,27,28)/t18-/m0/s1
InChIKeyRDSUBXPCMWRRMG-SFHVURJKSA-N
XLogP1.29
TPSA131.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.29
H-Bond Donors ≤ 52
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 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 70320633) is 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC(=O)N2CC[C@H](O)C2)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is RDSUBXPCMWRRMG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-3-9-35-10-8-30-19-11-17(16-4-5-20(34-2)25-12-16)13-26-22(19)28-23(24(30)33)27-14-21(32)29-7-6-18(31)15-29/h4-5,11-13,18,31H,3,6-10,14-15H2,1-2H3,(H,26,27,28)/t18-/m0/s1.
What are the key properties of 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 482.54 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).