3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine

C19H21ClN4O2 — CID 50980464

IUPAC3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCOc1ccc2c(c1)C=C(CN1CCN(c3ccc(Cl)nn3)CC1)CO2
InChIInChI=1S/C19H21ClN4O2/c1-25-16-2-3-17-15(11-16)10-14(13-26-17)12-23-6-8-24(9-7-23)19-5-4-18(20)21-22-19/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyUQDRCACATPWWCK-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.74
Rot. Bonds4

About 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine

3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine (PubChem CID 50980464) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
PubChem CID50980464
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCOc1ccc2c(c1)C=C(CN1CCN(c3ccc(Cl)nn3)CC1)CO2
InChIInChI=1S/C19H21ClN4O2/c1-25-16-2-3-17-15(11-16)10-14(13-26-17)12-23-6-8-24(9-7-23)19-5-4-18(20)21-22-19/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyUQDRCACATPWWCK-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598716
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
(R)-[1-[(6-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99932443
3-chloro-6-[4-[(2-ethylphenyl)methyl]piperazin-1-yl]pyridazine
CID 50969918
(3aR,5R,6R,7aS)-2-[(6-methoxy-2H-chromen-3-yl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172657224
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72915228
4-[(6-methoxy-2H-chromen-3-yl)methyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholine
CID 132778350
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
ethyl 1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45212947
3-[4-[(6,8-dichloro-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine
CID 126767532

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine (CID 50980464) is 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine is COc1ccc2c(c1)C=C(CN1CCN(c3ccc(Cl)nn3)CC1)CO2.
What is the InChIKey of 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is UQDRCACATPWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-25-16-2-3-17-15(11-16)10-14(13-26-17)12-23-6-8-24(9-7-23)19-5-4-18(20)21-22-19/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine?
3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 372.86 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[(6-methoxy-2H-chromen-3-yl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 50980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).