[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

C24H24Cl2N4O2 — CID 10004959

IUPAC[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(Cl)cccc4Cl)c3)cc2)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-29-9-11-30(12-10-29)24(31)17-7-5-16(6-8-17)18-13-22(23(27)28-14-18)32-15-19-20(25)3-2-4-21(19)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28)
InChIKeyDBHGHGBVQVADRC-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.60
Rot. Bonds5

About [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 10004959) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID10004959
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(Cl)cccc4Cl)c3)cc2)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-29-9-11-30(12-10-29)24(31)17-7-5-16(6-8-17)18-13-22(23(27)28-14-18)32-15-19-20(25)3-2-4-21(19)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28)
InChIKeyDBHGHGBVQVADRC-UHFFFAOYSA-N
XLogP4.60
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
CID 10318129
[4-[6-amino-5-[(2-chloro-6-fluorophenyl)methoxy]-3-pyridinyl]phenyl]-[(3S)-3-aminopyrrolidin-1-yl]methanone
CID 58886220
2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 58886146
[3-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 21110839
5-(6-amino-3-pyridinyl)-3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
CID 21110956
2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-1-[4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 142774241
[4-[6-amino-5-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methoxy]-3-pyridinyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 58886586
[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
CID 174502020
[4-[6-amino-5-[[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]methoxy]-3-pyridinyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 58885811
[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 58886024
[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 10004959) is [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(OCc4c(Cl)cccc4Cl)c3)cc2)CC1.
What is the InChIKey of [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DBHGHGBVQVADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-29-9-11-30(12-10-29)24(31)17-7-5-16(6-8-17)18-13-22(23(27)28-14-18)32-15-19-20(25)3-2-4-21(19)26/h2-8,13-14H,9-12,15H2,1H3,(H2,27,28).
What are the key properties of [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 471.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10004959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).