4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C19H25N5O2 — CID 70746850

IUPAC4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(CC3(O)CCNC3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H25N5O2/c25-17-12-16(18(22-21-17)15-4-2-1-3-5-15)24-10-8-23(9-11-24)14-19(26)6-7-20-13-19/h1-5,12,20,26H,6-11,13-14H2,(H,21,25)
InChIKeyBGICCGYYWUWGEM-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.28
Rot. Bonds4

About 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 70746850) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID70746850
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(CC3(O)CCNC3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H25N5O2/c25-17-12-16(18(22-21-17)15-4-2-1-3-5-15)24-10-8-23(9-11-24)14-19(26)6-7-20-13-19/h1-5,12,20,26H,6-11,13-14H2,(H,21,25)
InChIKeyBGICCGYYWUWGEM-UHFFFAOYSA-N
XLogP0.28
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one with MolForge

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Related Compounds

3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
4-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 124758734
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91834549
4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91837844
4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581330
4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 74240607
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581577

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 70746850) is 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=c1cc(N2CCN(CC3(O)CCNC3)CC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is BGICCGYYWUWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-17-12-16(18(22-21-17)15-4-2-1-3-5-15)24-10-8-23(9-11-24)14-19(26)6-7-20-13-19/h1-5,12,20,26H,6-11,13-14H2,(H,21,25).
What are the key properties of 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 355.44 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 70746850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).