2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

C19H23N7O2 — CID 68805086

IUPAC2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCOCCN1CCN(c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)CC1
InChIInChI=1S/C19H23N7O2/c1-28-10-9-24-5-7-25(8-6-24)17-11-18(22-14-21-17)26-19(27)16(13-23-26)15-3-2-4-20-12-15/h2-4,11-14,23H,5-10H2,1H3
InChIKeyKOLAVCBBJLWGOM-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.79
Rot. Bonds6

About 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 68805086) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID68805086
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCOCCN1CCN(c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)CC1
InChIInChI=1S/C19H23N7O2/c1-28-10-9-24-5-7-25(8-6-24)17-11-18(22-14-21-17)26-19(27)16(13-23-26)15-3-2-4-20-12-15/h2-4,11-14,23H,5-10H2,1H3
InChIKeyKOLAVCBBJLWGOM-UHFFFAOYSA-N
XLogP0.79
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one (CID 68805086) is 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is COCCN1CCN(c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)CC1.
What is the InChIKey of 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is KOLAVCBBJLWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-28-10-9-24-5-7-25(8-6-24)17-11-18(22-14-21-17)26-19(27)16(13-23-26)15-3-2-4-20-12-15/h2-4,11-14,23H,5-10H2,1H3.
What are the key properties of 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one?
2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 381.44 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 68805086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).