4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one

C24H32N6O4 — CID 57396470

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one
SMILESCCCOCCn1c(=O)nc(N2CCN(CCO)CC2)c2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-20-15-19(18-4-5-21(33-2)25-16-18)17-26-22(20)23(27-24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
InChIKeyOWEKBXGGJZLUPI-UHFFFAOYSA-N
MW468.56 g/mol
LogP1.40
Rot. Bonds10

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one

4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one (PubChem CID 57396470) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one
PubChem CID57396470
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one
SMILESCCCOCCn1c(=O)nc(N2CCN(CCO)CC2)c2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-20-15-19(18-4-5-21(33-2)25-16-18)17-26-22(20)23(27-24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
InChIKeyOWEKBXGGJZLUPI-UHFFFAOYSA-N
XLogP1.40
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one (CID 57396470) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one is CCCOCCn1c(=O)nc(N2CCN(CCO)CC2)c2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one?
The InChIKey is OWEKBXGGJZLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-20-15-19(18-4-5-21(33-2)25-16-18)17-26-22(20)23(27-24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3.
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 468.56 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 57396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).